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

C14H12FNO2S — CID 60677697

IUPAC2-(2-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Sc2ccccc2F)n1
InChIInChI=1S/C14H12FNO2S/c1-8-7-9(2)16-13(12(8)14(17)18)19-11-6-4-3-5-10(11)15/h3-7H,1-2H3,(H,17,18)
InChIKeyGDZCZBIXLCPBJL-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.69
Rot. Bonds3

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

2-(2-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 60677697) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID60677697
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC Name2-(2-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Sc2ccccc2F)n1
InChIInChI=1S/C14H12FNO2S/c1-8-7-9(2)16-13(12(8)14(17)18)19-11-6-4-3-5-10(11)15/h3-7H,1-2H3,(H,17,18)
InChIKeyGDZCZBIXLCPBJL-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid (CID 60677697) is 2-(2-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(Sc2ccccc2F)n1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is GDZCZBIXLCPBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c1-8-7-9(2)16-13(12(8)14(17)18)19-11-6-4-3-5-10(11)15/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid?
2-(2-fluorophenyl)sulfanyl-4,6-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 2-(2-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 60677697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).