3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid

C14H11FN2O3 — CID 104739659

IUPAC3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCc1cc(F)cc(C(=O)Nc2cccnc2C(=O)O)c1
InChIInChI=1S/C14H11FN2O3/c1-8-5-9(7-10(15)6-8)13(18)17-11-3-2-4-16-12(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyLTSGCJCQYJAYTJ-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.48
Rot. Bonds3

About 3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid

3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid (PubChem CID 104739659) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
PubChem CID104739659
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCc1cc(F)cc(C(=O)Nc2cccnc2C(=O)O)c1
InChIInChI=1S/C14H11FN2O3/c1-8-5-9(7-10(15)6-8)13(18)17-11-3-2-4-16-12(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyLTSGCJCQYJAYTJ-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

3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740205
N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide
CID 103819167
3-[(2-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740167
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162
3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739652
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
3-[(4-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107670919
3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740428
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
CID 115659778
3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743485
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
CID 103773111

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid (CID 104739659) is 3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid is Cc1cc(F)cc(C(=O)Nc2cccnc2C(=O)O)c1.
What is the InChIKey of 3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is LTSGCJCQYJAYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-8-5-9(7-10(15)6-8)13(18)17-11-3-2-4-16-12(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid?
3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic 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 3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104739659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).