3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide

C13H11BrN2O2 — CID 107519523

IUPAC3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1ncccc1Br
InChIInChI=1S/C13H11BrN2O2/c14-11-5-2-6-15-12(11)13(18)16-8-9-3-1-4-10(17)7-9/h1-7,17H,8H2,(H,16,18)
InChIKeyNGNMWBJUKCVVFP-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.48
Rot. Bonds3

About 3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide

3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 107519523) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID107519523
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1ncccc1Br
InChIInChI=1S/C13H11BrN2O2/c14-11-5-2-6-15-12(11)13(18)16-8-9-3-1-4-10(17)7-9/h1-7,17H,8H2,(H,16,18)
InChIKeyNGNMWBJUKCVVFP-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide
CID 107516900
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide
CID 107518056
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518917
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
methyl 4-[[(3-bromopyridine-2-carbonyl)amino]methyl]benzoate
CID 107518096
N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide
CID 155734185
2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 103765522
2-bromo-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292162
2-bromo-4-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292077
3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 107518753
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide (CID 107519523) is 3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide is O=C(NCc1cccc(O)c1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is NGNMWBJUKCVVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-11-5-2-6-15-12(11)13(18)16-8-9-3-1-4-10(17)7-9/h1-7,17H,8H2,(H,16,18).
What are the key properties of 3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide?
3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107519523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).