2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine

C19H16FNOS — CID 71594972

IUPAC2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine
SMILESCOc1ccc(C(Sc2ccc(F)cc2)c2ccccn2)cc1
InChIInChI=1S/C19H16FNOS/c1-22-16-9-5-14(6-10-16)19(18-4-2-3-13-21-18)23-17-11-7-15(20)8-12-17/h2-13,19H,1H3
InChIKeyDMIJYVFIUKCFTG-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.11
Rot. Bonds5

About 2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine

2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine (PubChem CID 71594972) has the molecular formula C19H16FNOS and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine
PubChem CID71594972
Molecular FormulaC19H16FNOS
Molecular Weight325.41 g/mol
Exact Mass325.09
IUPAC Name2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine
SMILESCOc1ccc(C(Sc2ccc(F)cc2)c2ccccn2)cc1
InChIInChI=1S/C19H16FNOS/c1-22-16-9-5-14(6-10-16)19(18-4-2-3-13-21-18)23-17-11-7-15(20)8-12-17/h2-13,19H,1H3
InChIKeyDMIJYVFIUKCFTG-UHFFFAOYSA-N
XLogP5.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine?
The IUPAC name of 2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine (CID 71594972) is 2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine?
The canonical SMILES for 2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine is COc1ccc(C(Sc2ccc(F)cc2)c2ccccn2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine?
The InChIKey is DMIJYVFIUKCFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNOS/c1-22-16-9-5-14(6-10-16)19(18-4-2-3-13-21-18)23-17-11-7-15(20)8-12-17/h2-13,19H,1H3.
What are the key properties of 2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine?
2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine has a molecular weight of 325.41 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine is sourced from PubChem (CID 71594972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).