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

C17H12N2OS — CID 657930

IUPAC6-(furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile
SMILESCSc1nc(-c2ccco2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C17H12N2OS/c1-21-17-14(11-18)13(12-6-3-2-4-7-12)10-15(19-17)16-8-5-9-20-16/h2-10H,1H3
InChIKeyCTNAYVPMEUIVMZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.60
Rot. Bonds3

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

6-(furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile (PubChem CID 657930) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile
PubChem CID657930
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name6-(furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile
SMILESCSc1nc(-c2ccco2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C17H12N2OS/c1-21-17-14(11-18)13(12-6-3-2-4-7-12)10-15(19-17)16-8-5-9-20-16/h2-10H,1H3
InChIKeyCTNAYVPMEUIVMZ-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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Related Compounds

CID 24950370
CID 24950370
CID 648122
CID 648122
CID 571251
CID 571251
CID 647959
CID 647959
CID 649080
CID 649080
CID 658573
CID 658573
CID 660809
CID 660809
CID 661834
CID 661834
CID 694333
CID 694333
CID 1086432
CID 1086432
CID 1086433
CID 1086433
CID 5913111
CID 5913111

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-(furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile (CID 657930) is 6-(furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-(furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile is CSc1nc(-c2ccco2)cc(-c2ccccc2)c1C#N.
What is the InChIKey of 6-(furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile?
The InChIKey is CTNAYVPMEUIVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-21-17-14(11-18)13(12-6-3-2-4-7-12)10-15(19-17)16-8-5-9-20-16/h2-10H,1H3.
What are the key properties of 6-(furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile?
6-(furan-2-yl)-2-methylsulfanyl-4-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 6-(furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 657930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).