4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid

C14H12FNO2S — CID 81053322

IUPAC4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(Sc2ccccc2F)c(C(=O)O)c(C)n1
InChIInChI=1S/C14H12FNO2S/c1-8-7-12(13(14(17)18)9(2)16-8)19-11-6-4-3-5-10(11)15/h3-7H,1-2H3,(H,17,18)
InChIKeyNWMMWNMTWXTDRR-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.69
Rot. Bonds3

About 4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid

4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81053322) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81053322
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC Name4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(Sc2ccccc2F)c(C(=O)O)c(C)n1
InChIInChI=1S/C14H12FNO2S/c1-8-7-12(13(14(17)18)9(2)16-8)19-11-6-4-3-5-10(11)15/h3-7H,1-2H3,(H,17,18)
InChIKeyNWMMWNMTWXTDRR-UHFFFAOYSA-N
XLogP3.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid
CID 60677697
2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 81036968
4-ethylsulfanyl-2,6-dimethylpyridine-3-carboxylic acid
CID 81053869
4-[(4-chlorophenyl)methylsulfanyl]-2,6-dimethylpyridine-3-carboxylic acid
CID 114791975
4-(furan-2-ylmethylsulfanyl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053250
4,6-dimethyl-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
CID 54896310
4-butylsulfanyl-2,6-dimethylpyridine-3-carboxylic acid
CID 81053792
[2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552247
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-6-methylsulfanylbenzoic acid
CID 136695147
4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052848
4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid
CID 43143103
4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid
CID 81237081

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid (CID 81053322) is 4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(Sc2ccccc2F)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is NWMMWNMTWXTDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c1-8-7-12(13(14(17)18)9(2)16-8)19-11-6-4-3-5-10(11)15/h3-7H,1-2H3,(H,17,18).
What are the key properties of 4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid?
4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81053322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).