2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid

C13H8BrClN2O3 — CID 107938052

IUPAC2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC(=O)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C13H8BrClN2O3/c14-9-3-8(4-10(15)6-9)12(18)17-11-5-7(13(19)20)1-2-16-11/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyBWWWZXASAYGYEF-UHFFFAOYSA-N
MW355.58 g/mol
LogP3.45
Rot. Bonds3

About 2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid

2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid (PubChem CID 107938052) has the molecular formula C13H8BrClN2O3 and a molecular weight of 355.58 g/mol. Its IUPAC name is 2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid
PubChem CID107938052
Molecular FormulaC13H8BrClN2O3
Molecular Weight355.58 g/mol
Exact Mass353.94
IUPAC Name2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC(=O)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C13H8BrClN2O3/c14-9-3-8(4-10(15)6-9)12(18)17-11-5-7(13(19)20)1-2-16-11/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyBWWWZXASAYGYEF-UHFFFAOYSA-N
XLogP3.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.58
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-(6-chloropyrimidin-4-yl)benzamide
CID 114049580
2-[(2-bromopyridine-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 114037370
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107938249
N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 102674199
3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 107937708
4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 107937789
2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid
CID 114368080
3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide
CID 107944218
2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 81470848
3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 113349571
4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 107812540
5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
CID 107937795

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid (CID 107938052) is 2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NC(=O)c2cc(Cl)cc(Br)c2)c1.
What is the InChIKey of 2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid?
The InChIKey is BWWWZXASAYGYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O3/c14-9-3-8(4-10(15)6-9)12(18)17-11-5-7(13(19)20)1-2-16-11/h1-6H,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid?
2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid has a molecular weight of 355.58 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107938052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).