![5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one structure](/static/products/114/1145672-19-0.webp)
5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one
TL;DR: 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one (CAS 1145672-19-0) is a chemical compound with molecular formula C12H9N3O and molecular weight 211.07455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-isocyano-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one
Also Known As: KBio2_000144, KBio2_002712, KBio2_005280, KBio3_000287, KBio3_000288
Technical Specifications
| Molecular Formula | C12H9N3O |
| Molecular Weight | 211.07455 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 46.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.07455 Da |
| Heavy Atoms | 16 |
| Complexity | 419.0 |
| SMILES | CC1=C(C=C(C(=O)N1)[N+]#[C-])C2=CC=NC=C2 |
| InChIKey | CCGWOALSOFLMBV-UHFFFAOYSA-N |
Chemical Property Profile of 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one
Property Insights of 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one. With a topological polar surface area (TPSA) of 46.4 Ų, 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one?
The CAS number of 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one is 1145672-19-0.
What is the molecular formula of 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one?
The molecular formula of 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one is C12H9N3O.
What is the molecular weight of 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one?
The molecular weight of 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one is 211.07455 g/mol.
Where can I buy 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one?
You can request a quote for 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one?
Yes, CoreyChem provides custom synthesis services for 5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.