N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide

C13H11BrN2O2 — CID 63852378

IUPACN-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Br)c1cncc(O)c1
InChIInChI=1S/C13H11BrN2O2/c14-12-4-2-1-3-9(12)7-16-13(18)10-5-11(17)8-15-6-10/h1-6,8,17H,7H2,(H,16,18)
InChIKeyFKKJTEWCRGSWNR-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.48
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide

N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 63852378) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide
PubChem CID63852378
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC NameN-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Br)c1cncc(O)c1
InChIInChI=1S/C13H11BrN2O2/c14-12-4-2-1-3-9(12)7-16-13(18)10-5-11(17)8-15-6-10/h1-6,8,17H,7H2,(H,16,18)
InChIKeyFKKJTEWCRGSWNR-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

5-hydroxy-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115621996
5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 32602395
N-[(3-ethyl-2-pyridinyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 82739232
5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 63864257
3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
CID 61401694
5-hydroxy-N-[2-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 78953956
N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63930382
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
5-hydroxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 63860474
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
N-[(2-bromophenyl)methyl]-3-methylbenzamide
CID 60739134
N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide
CID 81090318

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide (CID 63852378) is N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide is O=C(NCc1ccccc1Br)c1cncc(O)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is FKKJTEWCRGSWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-12-4-2-1-3-9(12)7-16-13(18)10-5-11(17)8-15-6-10/h1-6,8,17H,7H2,(H,16,18).
What are the key properties of N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide?
N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-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 N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 63852378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).