2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid

C14H11BrN2O4 — CID 82859559

IUPAC2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCOc1cc(NC(=O)c2ncccc2C(=O)O)ccc1Br
InChIInChI=1S/C14H11BrN2O4/c1-21-11-7-8(4-5-10(11)15)17-13(18)12-9(14(19)20)3-2-6-16-12/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyDAKPDAPRLLOMOQ-UHFFFAOYSA-N
MW351.16 g/mol
LogP2.80
Rot. Bonds4

About 2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid

2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 82859559) has the molecular formula C14H11BrN2O4 and a molecular weight of 351.16 g/mol. Its IUPAC name is 2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID82859559
Molecular FormulaC14H11BrN2O4
Molecular Weight351.16 g/mol
Exact Mass349.99
IUPAC Name2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCOc1cc(NC(=O)c2ncccc2C(=O)O)ccc1Br
InChIInChI=1S/C14H11BrN2O4/c1-21-11-7-8(4-5-10(11)15)17-13(18)12-9(14(19)20)3-2-6-16-12/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyDAKPDAPRLLOMOQ-UHFFFAOYSA-N
XLogP2.80
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 115295735
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154756
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066
3-hydroxy-N-(3-methoxy-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 167828316
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 21231390
N-(4-bromo-3-methoxyphenyl)-2-iodo-3-methylbenzamide
CID 103719026
5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107516941
2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107596791
3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide
CID 107519279
N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 80717929
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid (CID 82859559) is 2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid is COc1cc(NC(=O)c2ncccc2C(=O)O)ccc1Br.
What is the InChIKey of 2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is DAKPDAPRLLOMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O4/c1-21-11-7-8(4-5-10(11)15)17-13(18)12-9(14(19)20)3-2-6-16-12/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 351.16 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 82859559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).