2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine

C13H12FNO2S — CID 64716280

IUPAC2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine
SMILESCOc1cccc(CS(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C13H12FNO2S/c1-17-13-4-2-3-11(15-13)9-18(16)12-7-5-10(14)6-8-12/h2-8H,9H2,1H3
InChIKeyCNZMKSNWOVFSQD-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.54
Rot. Bonds4

About 2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine

2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine (PubChem CID 64716280) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine
PubChem CID64716280
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine
SMILESCOc1cccc(CS(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C13H12FNO2S/c1-17-13-4-2-3-11(15-13)9-18(16)12-7-5-10(14)6-8-12/h2-8H,9H2,1H3
InChIKeyCNZMKSNWOVFSQD-UHFFFAOYSA-N
XLogP2.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine?
The IUPAC name of 2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine (CID 64716280) is 2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine?
The canonical SMILES for 2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine is COc1cccc(CS(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine?
The InChIKey is CNZMKSNWOVFSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-17-13-4-2-3-11(15-13)9-18(16)12-7-5-10(14)6-8-12/h2-8H,9H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine?
2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine has a molecular weight of 265.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfinylmethyl]-6-methoxypyridine is sourced from PubChem (CID 64716280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).