6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid

C14H11BrN2O3 — CID 107577282

IUPAC6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1cc(Br)cc(NC(=O)c2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C14H11BrN2O3/c1-8-4-10(15)6-11(5-8)17-13(18)12-3-2-9(7-16-12)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyNKPNTEJGLDDWNC-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.10
Rot. Bonds3

About 6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid

6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 107577282) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID107577282
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1cc(Br)cc(NC(=O)c2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C14H11BrN2O3/c1-8-4-10(15)6-11(5-8)17-13(18)12-3-2-9(7-16-12)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyNKPNTEJGLDDWNC-UHFFFAOYSA-N
XLogP3.10
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-methylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 107578475
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638360
6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 107577295
N-(3-bromo-5-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 107578454
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide
CID 107583928
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107370115
4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62959114
4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 62960045
6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 115116603

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (CID 107577282) is 6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is Cc1cc(Br)cc(NC(=O)c2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is NKPNTEJGLDDWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-8-4-10(15)6-11(5-8)17-13(18)12-3-2-9(7-16-12)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 335.16 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 107577282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).