2-(4-fluorophenyl)sulfanyl-6-phenylpyridine-3-carbonitrile

C18H11FN2S — CID 2765220

IUPAC2-(4-fluorophenyl)sulfanyl-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2)nc1Sc1ccc(F)cc1
InChIInChI=1S/C18H11FN2S/c19-15-7-9-16(10-8-15)22-18-14(12-20)6-11-17(21-18)13-4-2-1-3-5-13/h1-11H
InChIKeyBIEIMFRJXAMDFC-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.91
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-6-phenylpyridine-3-carbonitrile

2-(4-fluorophenyl)sulfanyl-6-phenylpyridine-3-carbonitrile (PubChem CID 2765220) has the molecular formula C18H11FN2S and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-6-phenylpyridine-3-carbonitrile
PubChem CID2765220
Molecular FormulaC18H11FN2S
Molecular Weight306.37 g/mol
Exact Mass306.06
IUPAC Name2-(4-fluorophenyl)sulfanyl-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2)nc1Sc1ccc(F)cc1
InChIInChI=1S/C18H11FN2S/c19-15-7-9-16(10-8-15)22-18-14(12-20)6-11-17(21-18)13-4-2-1-3-5-13/h1-11H
InChIKeyBIEIMFRJXAMDFC-UHFFFAOYSA-N
XLogP4.91
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.91
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-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-6-phenylpyridine-3-carbonitrile (CID 2765220) is 2-(4-fluorophenyl)sulfanyl-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-6-phenylpyridine-3-carbonitrile is N#Cc1ccc(-c2ccccc2)nc1Sc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-6-phenylpyridine-3-carbonitrile?
The InChIKey is BIEIMFRJXAMDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2S/c19-15-7-9-16(10-8-15)22-18-14(12-20)6-11-17(21-18)13-4-2-1-3-5-13/h1-11H.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-6-phenylpyridine-3-carbonitrile?
2-(4-fluorophenyl)sulfanyl-6-phenylpyridine-3-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 2765220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).