2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile

C15H14N2OS — CID 111476601

IUPAC2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile
SMILESCc1ccc(C(O)CSc2cc(C#N)ccn2)cc1
InChIInChI=1S/C15H14N2OS/c1-11-2-4-13(5-3-11)14(18)10-19-15-8-12(9-16)6-7-17-15/h2-8,14,18H,10H2,1H3
InChIKeyFOFASCKHXZCIEN-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.09
Rot. Bonds4

About 2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile

2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile (PubChem CID 111476601) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile
PubChem CID111476601
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile
SMILESCc1ccc(C(O)CSc2cc(C#N)ccn2)cc1
InChIInChI=1S/C15H14N2OS/c1-11-2-4-13(5-3-11)14(18)10-19-15-8-12(9-16)6-7-17-15/h2-8,14,18H,10H2,1H3
InChIKeyFOFASCKHXZCIEN-UHFFFAOYSA-N
XLogP3.09
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile?
The IUPAC name of 2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile (CID 111476601) is 2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile?
The canonical SMILES for 2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile is Cc1ccc(C(O)CSc2cc(C#N)ccn2)cc1.
What is the InChIKey of 2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile?
The InChIKey is FOFASCKHXZCIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-11-2-4-13(5-3-11)14(18)10-19-15-8-12(9-16)6-7-17-15/h2-8,14,18H,10H2,1H3.
What are the key properties of 2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile?
2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile has a molecular weight of 270.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanylpyridine-4-carbonitrile is sourced from PubChem (CID 111476601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).