5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid

C14H11FN2O3 — CID 24690411

IUPAC5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2C(=O)O)cn1
InChIInChI=1S/C14H11FN2O3/c1-8-2-3-9(7-16-8)13(18)17-12-5-4-10(15)6-11(12)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyKJRKDDFKNZFUFE-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.48
Rot. Bonds3

About 5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid

5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid (PubChem CID 24690411) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
PubChem CID24690411
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2C(=O)O)cn1
InChIInChI=1S/C14H11FN2O3/c1-8-2-3-9(7-16-8)13(18)17-12-5-4-10(15)6-11(12)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyKJRKDDFKNZFUFE-UHFFFAOYSA-N
XLogP2.48
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24702059
2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid
CID 66468619
5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 62050351
2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
CID 28545385
5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818783
2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid
CID 81314313
N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 51331568
3-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 16793648
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
3-[(6-methylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 16782205
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoic acid
CID 66468610

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid (CID 24690411) is 5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2ccc(F)cc2C(=O)O)cn1.
What is the InChIKey of 5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is KJRKDDFKNZFUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-8-2-3-9(7-16-8)13(18)17-12-5-4-10(15)6-11(12)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid?
5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 274.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 24690411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).