2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid

C13H10BrN3O3 — CID 115296105

IUPAC2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid
SMILESNC(=O)c1ccc(Nc2ccc(Br)c(C(=O)O)c2)nc1
InChIInChI=1S/C13H10BrN3O3/c14-10-3-2-8(5-9(10)13(19)20)17-11-4-1-7(6-16-11)12(15)18/h1-6H,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyZXUMQDNNHSYCRH-UHFFFAOYSA-N
MW336.15 g/mol
LogP2.38
Rot. Bonds4

About 2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid

2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid (PubChem CID 115296105) has the molecular formula C13H10BrN3O3 and a molecular weight of 336.15 g/mol. Its IUPAC name is 2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid
PubChem CID115296105
Molecular FormulaC13H10BrN3O3
Molecular Weight336.15 g/mol
Exact Mass334.99
IUPAC Name2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid
SMILESNC(=O)c1ccc(Nc2ccc(Br)c(C(=O)O)c2)nc1
InChIInChI=1S/C13H10BrN3O3/c14-10-3-2-8(5-9(10)13(19)20)17-11-4-1-7(6-16-11)12(15)18/h1-6H,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyZXUMQDNNHSYCRH-UHFFFAOYSA-N
XLogP2.38
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid
CID 107613303
6-(4-aminoanilino)pyridine-3-carboxamide
CID 24711286
6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide
CID 10291190
2-bromo-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)benzoic acid
CID 115296114
6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide
CID 71072352
4-(3-bromo-4-carbamoylanilino)benzoic acid
CID 107275335
6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162361
N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113021535
2-bromo-5-[4-(trifluoromethyl)anilino]benzoic acid
CID 115296056
6-anilino-N-(3-bromophenyl)pyridine-3-carboxamide
CID 109162087
2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 115295703
2-bromo-5-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]benzoic acid
CID 105362170

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid?
The IUPAC name of 2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid (CID 115296105) is 2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid?
The canonical SMILES for 2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid is NC(=O)c1ccc(Nc2ccc(Br)c(C(=O)O)c2)nc1.
What is the InChIKey of 2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid?
The InChIKey is ZXUMQDNNHSYCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O3/c14-10-3-2-8(5-9(10)13(19)20)17-11-4-1-7(6-16-11)12(15)18/h1-6H,(H2,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid?
2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid has a molecular weight of 336.15 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid is sourced from PubChem (CID 115296105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).