6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide

C13H11BrN2O2 — CID 115670742

IUPAC6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1ccc(Br)nc1
InChIInChI=1S/C13H11BrN2O2/c14-12-6-3-10(8-15-12)13(18)16-7-9-1-4-11(17)5-2-9/h1-6,8,17H,7H2,(H,16,18)
InChIKeySTNMDZNNJMCWCV-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.48
Rot. Bonds3

About 6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide

6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 115670742) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID115670742
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1ccc(Br)nc1
InChIInChI=1S/C13H11BrN2O2/c14-12-6-3-10(8-15-12)13(18)16-7-9-1-4-11(17)5-2-9/h1-6,8,17H,7H2,(H,16,18)
InChIKeySTNMDZNNJMCWCV-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

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 66462090
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
5-hydroxy-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115621996
3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115671047
6-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 66462161
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide
CID 89088351
N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 66463277
6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 79420880
6-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 66462162

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide (CID 115670742) is 6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc(O)cc1)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is STNMDZNNJMCWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-12-6-3-10(8-15-12)13(18)16-7-9-1-4-11(17)5-2-9/h1-6,8,17H,7H2,(H,16,18).
What are the key properties of 6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide?
6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-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 6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 115670742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).