TL;DR: Methyl 2-(pyridin-3-ylmethylene)hydrazinecarboxylate (CAS 1212056-79-5) is a chemical compound with molecular formula C8H9N3O2 and molecular weight 179.06947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-[(E)-pyridin-3-ylmethylideneamino]carbamate
Also Known As: Methyl 3-(3-pyridylmethylene)carbazate, methyl 2-(pyridin-3-ylmethylene)hydrazinecarboxylate, methyl N-[(E)-pyridin-3-ylmethylideneamino]carbamate, AE-848/33769036, methyl 2-(3-pyridinylmethylene)hydrazinecarboxylate
| Molecular Formula | C8H9N3O2 |
| Molecular Weight | 179.06947 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.06947 Da |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
| SMILES | COC(=O)N/N=C/C1=CN=CC=C1 |
| InChIKey | WTKRBIZKZQOPOB-UXBLZVDNSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(pyridin-3-ylmethylene)hydrazinecarboxylate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(pyridin-3-ylmethylene)hydrazinecarboxylate. Following Lipinski's Rule of Five, Methyl 2-(pyridin-3-ylmethylene)hydrazinecarboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl 2-(pyridin-3-ylmethylene)hydrazinecarboxylate is 1212056-79-5.
The molecular formula of Methyl 2-(pyridin-3-ylmethylene)hydrazinecarboxylate is C8H9N3O2.
The molecular weight of Methyl 2-(pyridin-3-ylmethylene)hydrazinecarboxylate is 179.06947 g/mol.
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