6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide

C13H11BrN2O3 — CID 66465082

IUPAC6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)nc2)cc1O
InChIInChI=1S/C13H11BrN2O3/c1-19-11-4-3-9(6-10(11)17)16-13(18)8-2-5-12(14)15-7-8/h2-7,17H,1H3,(H,16,18)
InChIKeyAMWOXCJWMFQCTD-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.81
Rot. Bonds3

About 6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide

6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 66465082) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID66465082
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)nc2)cc1O
InChIInChI=1S/C13H11BrN2O3/c1-19-11-4-3-9(6-10(11)17)16-13(18)8-2-5-12(14)15-7-8/h2-7,17H,1H3,(H,16,18)
InChIKeyAMWOXCJWMFQCTD-UHFFFAOYSA-N
XLogP2.81
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 43710822
5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 63998822
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60693051
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide
CID 7478754
N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600826
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
2-(aminomethyl)-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 114325849
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 63188030

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide (CID 66465082) is 6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(Br)nc2)cc1O.
What is the InChIKey of 6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is AMWOXCJWMFQCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-19-11-4-3-9(6-10(11)17)16-13(18)8-2-5-12(14)15-7-8/h2-7,17H,1H3,(H,16,18).
What are the key properties of 6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide?
6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 323.15 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 66465082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).