3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide

C13H11BrN2O2 — CID 107518361

IUPAC3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1CO)c1ncccc1Br
InChIInChI=1S/C13H11BrN2O2/c14-10-5-3-7-15-12(10)13(18)16-11-6-2-1-4-9(11)8-17/h1-7,17H,8H2,(H,16,18)
InChIKeyGCRDQQORQAQISZ-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.59
Rot. Bonds3

About 3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide

3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide (PubChem CID 107518361) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide
PubChem CID107518361
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1CO)c1ncccc1Br
InChIInChI=1S/C13H11BrN2O2/c14-10-5-3-7-15-12(10)13(18)16-11-6-2-1-4-9(11)8-17/h1-7,17H,8H2,(H,16,18)
InChIKeyGCRDQQORQAQISZ-UHFFFAOYSA-N
XLogP2.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 107517737
3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide
CID 10466316
3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107517256
N-[2-(hydroxymethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61497876
N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 61497887
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 107518241
3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107519142
N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
CID 107516836
N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516937
4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
CID 107517024
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide (CID 107518361) is 3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccccc1CO)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is GCRDQQORQAQISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-10-5-3-7-15-12(10)13(18)16-11-6-2-1-4-9(11)8-17/h1-7,17H,8H2,(H,16,18).
What are the key properties of 3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 107518361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).