2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid

C12H7ClFNO2S — CID 43343505

IUPAC2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Sc2ccccc2F)c1
InChIInChI=1S/C12H7ClFNO2S/c13-10-5-7(12(16)17)6-11(15-10)18-9-4-2-1-3-8(9)14/h1-6H,(H,16,17)
InChIKeyFLWBCVCTUXLUSL-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.72
Rot. Bonds3

About 2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid

2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid (PubChem CID 43343505) has the molecular formula C12H7ClFNO2S and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid
PubChem CID43343505
Molecular FormulaC12H7ClFNO2S
Molecular Weight283.71 g/mol
Exact Mass282.99
IUPAC Name2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Sc2ccccc2F)c1
InChIInChI=1S/C12H7ClFNO2S/c13-10-5-7(12(16)17)6-11(15-10)18-9-4-2-1-3-8(9)14/h1-6H,(H,16,17)
InChIKeyFLWBCVCTUXLUSL-UHFFFAOYSA-N
XLogP3.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid (CID 43343505) is 2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(Sc2ccccc2F)c1.
What is the InChIKey of 2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid?
The InChIKey is FLWBCVCTUXLUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO2S/c13-10-5-7(12(16)17)6-11(15-10)18-9-4-2-1-3-8(9)14/h1-6H,(H,16,17).
What are the key properties of 2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid?
2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-fluorophenyl)sulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 43343505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).