3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid

C13H8BrClN2O3 — CID 28675243

IUPAC3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C13H8BrClN2O3/c14-9-3-8(5-16-6-9)12(18)17-11-4-7(13(19)20)1-2-10(11)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyPRBVYZRFCQVWHN-UHFFFAOYSA-N
MW355.58 g/mol
LogP3.45
Rot. Bonds3

About 3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid

3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid (PubChem CID 28675243) has the molecular formula C13H8BrClN2O3 and a molecular weight of 355.58 g/mol. Its IUPAC name is 3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid.

Molecular Properties

Compound Name3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid
PubChem CID28675243
Molecular FormulaC13H8BrClN2O3
Molecular Weight355.58 g/mol
Exact Mass353.94
IUPAC Name3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C13H8BrClN2O3/c14-9-3-8(5-16-6-9)12(18)17-11-4-7(13(19)20)1-2-10(11)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyPRBVYZRFCQVWHN-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

5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 54858817
3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 107937708
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid
CID 805036
5-bromo-N-(3-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 9145915
4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367860
5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 7961320
4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702365
5-bromo-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 731484
4-chloro-3-(2H-triazole-4-carbonylamino)benzoic acid
CID 63283058
5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60865148
4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 43358856

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid?
The IUPAC name of 3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid (CID 28675243) is 3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid.
What is the SMILES notation for 3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid?
The canonical SMILES for 3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid is O=C(O)c1ccc(Cl)c(NC(=O)c2cncc(Br)c2)c1.
What is the InChIKey of 3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid?
The InChIKey is PRBVYZRFCQVWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O3/c14-9-3-8(5-16-6-9)12(18)17-11-4-7(13(19)20)1-2-10(11)15/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid?
3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic 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 3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid is sourced from PubChem (CID 28675243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).