2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine

C14H14FNO3S — CID 103174156

IUPAC2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(CS(=O)c2ccc(F)cc2)c1OC
InChIInChI=1S/C14H14FNO3S/c1-18-13-7-8-16-12(14(13)19-2)9-20(17)11-5-3-10(15)4-6-11/h3-8H,9H2,1-2H3
InChIKeyQPDRKRFPBYNUNC-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.55
Rot. Bonds5

About 2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine

2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine (PubChem CID 103174156) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine
PubChem CID103174156
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(CS(=O)c2ccc(F)cc2)c1OC
InChIInChI=1S/C14H14FNO3S/c1-18-13-7-8-16-12(14(13)19-2)9-20(17)11-5-3-10(15)4-6-11/h3-8H,9H2,1-2H3
InChIKeyQPDRKRFPBYNUNC-UHFFFAOYSA-N
XLogP2.55
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine?
The IUPAC name of 2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine (CID 103174156) is 2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine?
The canonical SMILES for 2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine is COc1ccnc(CS(=O)c2ccc(F)cc2)c1OC.
What is the InChIKey of 2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine?
The InChIKey is QPDRKRFPBYNUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-18-13-7-8-16-12(14(13)19-2)9-20(17)11-5-3-10(15)4-6-11/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine?
2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine has a molecular weight of 295.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfinylmethyl]-3,4-dimethoxypyridine is sourced from PubChem (CID 103174156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).