4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile

C17H12N2OS — CID 749416

IUPAC4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile
SMILESCSc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C17H12N2OS/c1-21-17-14(11-18)13(16-8-5-9-20-16)10-15(19-17)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyFVLPJPXMTHYXEH-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.60
Rot. Bonds3

About 4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile

4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile (PubChem CID 749416) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile
PubChem CID749416
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile
SMILESCSc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C17H12N2OS/c1-21-17-14(11-18)13(16-8-5-9-20-16)10-15(19-17)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyFVLPJPXMTHYXEH-UHFFFAOYSA-N
XLogP4.60
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile (CID 749416) is 4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile is CSc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N.
What is the InChIKey of 4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile?
The InChIKey is FVLPJPXMTHYXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-21-17-14(11-18)13(16-8-5-9-20-16)10-15(19-17)12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of 4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile?
4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile has a molecular weight of 292.36 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 749416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).