BRN 0501153

3-[(2,6-diamino-4-oxo-1H-pyridin-3-yl)diazenyl]-2,4,6-triiodobenzoic acid

CAS: 99970-78-2

Molecular Formula	`C12H8I3N5O3`
Molecular Weight	650.94 g/mol
LogP	2.7
Topological Polar Surface Area	143.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	650.7761
Heavy Atoms	23
Complexity	621.0

Chemical Identifiers

CAS Number	99970-78-2
SMILES	`C1=C(C(=C(C(=C1I)N=NC2=C(NC(=CC2=O)N)N)I)C(=O)O)I`
InChIKey	`YWLBBCDGLUBCMB-UHFFFAOYSA-N`

📖 Product Overview

BRN 0501153 (CAS: 99970-78-2) is a chemical compound with molecular formula C12H8I3N5O3 and molecular weight 650.94 g/mol. Its IUPAC systematic name is 3-[(2,6-diamino-4-oxo-1H-pyridin-3-yl)diazenyl]-2,4,6-triiodobenzoic acid. LogP 2.7 Topological Polar Surface Area 143.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 3 Exact Mass 650.7761 Heavy Atoms 23 Complexity 621.0 InChI Key: YWLBBCDGLUBCMB-UHFFFAOYSA-N. SMILES: C1=C(C(=C(C(=C1I)N=NC2=C(NC(=CC2=O)N)N)I)C(=O)O)I.

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