4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid

C14H8BrN3O3 — CID 63723009

IUPAC4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid
SMILESN#Cc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)O)nc1
InChIInChI=1S/C14H8BrN3O3/c15-9-2-3-10(14(20)21)12(5-9)18-13(19)11-4-1-8(6-16)7-17-11/h1-5,7H,(H,18,19)(H,20,21)
InChIKeyJHMDDPOKBMMWHX-UHFFFAOYSA-N
MW346.14 g/mol
LogP2.67
Rot. Bonds3

About 4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid

4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid (PubChem CID 63723009) has the molecular formula C14H8BrN3O3 and a molecular weight of 346.14 g/mol. Its IUPAC name is 4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid
PubChem CID63723009
Molecular FormulaC14H8BrN3O3
Molecular Weight346.14 g/mol
Exact Mass344.97
IUPAC Name4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid
SMILESN#Cc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)O)nc1
InChIInChI=1S/C14H8BrN3O3/c15-9-2-3-10(14(20)21)12(5-9)18-13(19)11-4-1-8(6-16)7-17-11/h1-5,7H,(H,18,19)(H,20,21)
InChIKeyJHMDDPOKBMMWHX-UHFFFAOYSA-N
XLogP2.67
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.14
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638178
N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide
CID 81003561
5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
CID 115116632
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103
N-(2-amino-5-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63722654
N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 113245238
N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide
CID 63724359
N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 63719479
5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 55229412
4-bromo-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030937
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid (CID 63723009) is 4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid is N#Cc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)O)nc1.
What is the InChIKey of 4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is JHMDDPOKBMMWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN3O3/c15-9-2-3-10(14(20)21)12(5-9)18-13(19)11-4-1-8(6-16)7-17-11/h1-5,7H,(H,18,19)(H,20,21).
What are the key properties of 4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid?
4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid has a molecular weight of 346.14 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63723009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).