6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide

C13H8BrN3O — CID 103889509

IUPAC6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cccc(Br)n1
InChIInChI=1S/C13H8BrN3O/c14-12-7-3-6-11(16-12)13(18)17-10-5-2-1-4-9(10)8-15/h1-7H,(H,17,18)
InChIKeySCOGPGSHLIFUHR-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.97
Rot. Bonds2

About 6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide

6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide (PubChem CID 103889509) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
PubChem CID103889509
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cccc(Br)n1
InChIInChI=1S/C13H8BrN3O/c14-12-7-3-6-11(16-12)13(18)17-10-5-2-1-4-9(10)8-15/h1-7H,(H,17,18)
InChIKeySCOGPGSHLIFUHR-UHFFFAOYSA-N
XLogP2.97
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239776
2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109101022
N-(2-cyanophenyl)quinoline-2-carboxamide
CID 10588311
6-N-(2-cyanophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095810
6-bromo-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 103874036
6-N-(2-cyanophenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100983
6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099614
6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 103889775
6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 103874055
N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 63024235
N-(2-cyanophenyl)thiadiazole-4-carboxamide
CID 65214777
2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66375860

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide (CID 103889509) is 6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide is N#Cc1ccccc1NC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is SCOGPGSHLIFUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-12-7-3-6-11(16-12)13(18)17-10-5-2-1-4-9(10)8-15/h1-7H,(H,17,18).
What are the key properties of 6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide?
6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide has a molecular weight of 302.13 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 103889509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).