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

C14H11FN2O3S — CID 43442788

IUPAC2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
SMILESCSc1ncccc1C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C14H11FN2O3S/c1-21-13-8(4-3-7-16-13)12(18)17-10-6-2-5-9(15)11(10)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyCVCHCXYGNKEQLP-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.89
Rot. Bonds4

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

2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid (PubChem CID 43442788) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
PubChem CID43442788
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
SMILESCSc1ncccc1C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C14H11FN2O3S/c1-21-13-8(4-3-7-16-13)12(18)17-10-6-2-5-9(15)11(10)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyCVCHCXYGNKEQLP-UHFFFAOYSA-N
XLogP2.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 8866395
3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171778
N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26115014
2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid
CID 107095848
2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 25486041
6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 61318585
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 122244042
2-benzamido-6-fluorobenzoic acid
CID 13389963
2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43171833
2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638146
2-[(2,3-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615588

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid (CID 43442788) is 2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid is CSc1ncccc1C(=O)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is CVCHCXYGNKEQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c1-21-13-8(4-3-7-16-13)12(18)17-10-6-2-5-9(15)11(10)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid?
2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 306.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43442788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).