2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid

C13H8F2N2O3 — CID 104638146

IUPAC2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cccc(F)c1C(=O)O)c1ccc(F)cn1
InChIInChI=1S/C13H8F2N2O3/c14-7-4-5-10(16-6-7)12(18)17-9-3-1-2-8(15)11(9)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeySRQMXCJKWQATBZ-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.31
Rot. Bonds3

About 2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid

2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid (PubChem CID 104638146) has the molecular formula C13H8F2N2O3 and a molecular weight of 278.21 g/mol. Its IUPAC name is 2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
PubChem CID104638146
Molecular FormulaC13H8F2N2O3
Molecular Weight278.21 g/mol
Exact Mass278.05
IUPAC Name2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cccc(F)c1C(=O)O)c1ccc(F)cn1
InChIInChI=1S/C13H8F2N2O3/c14-7-4-5-10(16-6-7)12(18)17-9-3-1-2-8(15)11(9)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeySRQMXCJKWQATBZ-UHFFFAOYSA-N
XLogP2.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
CID 13390039
2-benzamido-6-fluorobenzoic acid
CID 13389963
4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638170
2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid
CID 107702397
2-[(3-bromo-4-chlorobenzoyl)amino]-6-fluorobenzoic acid
CID 107997743
5-[(2-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121186
4-bromo-2-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638178
4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 107812529
2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid
CID 107095848
6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43580818
2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43442788
2-fluoro-6-(4-fluoroanilino)benzoic acid
CID 82296803

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid (CID 104638146) is 2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid is O=C(Nc1cccc(F)c1C(=O)O)c1ccc(F)cn1.
What is the InChIKey of 2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is SRQMXCJKWQATBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O3/c14-7-4-5-10(16-6-7)12(18)17-9-3-1-2-8(15)11(9)13(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid has a molecular weight of 278.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 104638146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).