4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid

C13H8F2N2O3 — CID 104638170

IUPAC4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C13H8F2N2O3/c14-8-2-4-10(16-6-8)12(18)17-11-5-7(13(19)20)1-3-9(11)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyCRQAQIFECZDPJP-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.31
Rot. Bonds3

About 4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid

4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid (PubChem CID 104638170) has the molecular formula C13H8F2N2O3 and a molecular weight of 278.21 g/mol. Its IUPAC name is 4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
PubChem CID104638170
Molecular FormulaC13H8F2N2O3
Molecular Weight278.21 g/mol
Exact Mass278.05
IUPAC Name4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C13H8F2N2O3/c14-8-2-4-10(16-6-8)12(18)17-11-5-7(13(19)20)1-3-9(11)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyCRQAQIFECZDPJP-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

4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 107812529
4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 60826073
3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid
CID 60748401
4-fluoro-3-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496348
5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide
CID 62952498
2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638146
3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638360
5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 63722901
4-bromo-2-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638178
methyl 3-[(5-bromopyridine-2-carbonyl)amino]-4-fluorobenzoate
CID 62953371
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-fluorobenzoic acid
CID 107496656
4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid (CID 104638170) is 4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid is O=C(O)c1ccc(F)c(NC(=O)c2ccc(F)cn2)c1.
What is the InChIKey of 4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is CRQAQIFECZDPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O3/c14-8-2-4-10(16-6-8)12(18)17-11-5-7(13(19)20)1-3-9(11)15/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
4-fluoro-3-[(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 4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 104638170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).