2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid

C13H8BrFN2O3 — CID 66468619

IUPAC2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid
SMILESO=C(Nc1ccc(F)cc1C(=O)O)c1ccc(Br)nc1
InChIInChI=1S/C13H8BrFN2O3/c14-11-4-1-7(6-16-11)12(18)17-10-3-2-8(15)5-9(10)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyZABQNCBLLQNWPG-UHFFFAOYSA-N
MW339.12 g/mol
LogP2.93
Rot. Bonds3

About 2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid

2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid (PubChem CID 66468619) has the molecular formula C13H8BrFN2O3 and a molecular weight of 339.12 g/mol. Its IUPAC name is 2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid
PubChem CID66468619
Molecular FormulaC13H8BrFN2O3
Molecular Weight339.12 g/mol
Exact Mass337.97
IUPAC Name2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid
SMILESO=C(Nc1ccc(F)cc1C(=O)O)c1ccc(Br)nc1
InChIInChI=1S/C13H8BrFN2O3/c14-11-4-1-7(6-16-11)12(18)17-10-3-2-8(15)5-9(10)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyZABQNCBLLQNWPG-UHFFFAOYSA-N
XLogP2.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoic acid
CID 66468610
5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24690411
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
CID 28545385
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 62050351
2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157769
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide
CID 103874439
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid?
The IUPAC name of 2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid (CID 66468619) is 2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid is O=C(Nc1ccc(F)cc1C(=O)O)c1ccc(Br)nc1.
What is the InChIKey of 2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid?
The InChIKey is ZABQNCBLLQNWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O3/c14-11-4-1-7(6-16-11)12(18)17-10-3-2-8(15)5-9(10)13(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid?
2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid has a molecular weight of 339.12 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid is sourced from PubChem (CID 66468619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).