N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide

C13H11BrN2O3 — CID 80717929

IUPACN-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccncc2O)ccc1Br
InChIInChI=1S/C13H11BrN2O3/c1-19-12-6-8(2-3-10(12)14)16-13(18)9-4-5-15-7-11(9)17/h2-7,17H,1H3,(H,16,18)
InChIKeyJIWPAHQBHZTPOR-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.81
Rot. Bonds3

About N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide

N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide (PubChem CID 80717929) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
PubChem CID80717929
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC NameN-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccncc2O)ccc1Br
InChIInChI=1S/C13H11BrN2O3/c1-19-12-6-8(2-3-10(12)14)16-13(18)9-4-5-15-7-11(9)17/h2-7,17H,1H3,(H,16,18)
InChIKeyJIWPAHQBHZTPOR-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

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 114840031
N-(4-bromo-3-methoxyphenyl)-4-fluoro-2-hydroxybenzamide
CID 103830086
N-(4-bromo-3-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 82867994
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037
N-(3-fluoro-4-hydroxyphenyl)-3-methoxypyridine-4-carboxamide
CID 105063689
3-hydroxy-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 81442907
N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388543
N-(3,4-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442671
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
N-(3,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442995
3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid
CID 81440136
4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid
CID 81445783

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide (CID 80717929) is N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide is COc1cc(NC(=O)c2ccncc2O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is JIWPAHQBHZTPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-19-12-6-8(2-3-10(12)14)16-13(18)9-4-5-15-7-11(9)17/h2-7,17H,1H3,(H,16,18).
What are the key properties of N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide?
N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-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 N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 80717929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).