4-(furan-2-yl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile

C12H10N2OS — CID 749402

IUPAC4-(furan-2-yl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1nc(C)cc(-c2ccco2)c1C#N
InChIInChI=1S/C12H10N2OS/c1-8-6-9(11-4-3-5-15-11)10(7-13)12(14-8)16-2/h3-6H,1-2H3
InChIKeyAKQRHKRRIJVLIY-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.24
Rot. Bonds2

About 4-(furan-2-yl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile

4-(furan-2-yl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile (PubChem CID 749402) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile
PubChem CID749402
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name4-(furan-2-yl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1nc(C)cc(-c2ccco2)c1C#N
InChIInChI=1S/C12H10N2OS/c1-8-6-9(11-4-3-5-15-11)10(7-13)12(14-8)16-2/h3-6H,1-2H3
InChIKeyAKQRHKRRIJVLIY-UHFFFAOYSA-N
XLogP3.24
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.24
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)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile (CID 749402) is 4-(furan-2-yl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile is CSc1nc(C)cc(-c2ccco2)c1C#N.
What is the InChIKey of 4-(furan-2-yl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is AKQRHKRRIJVLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-8-6-9(11-4-3-5-15-11)10(7-13)12(14-8)16-2/h3-6H,1-2H3.
What are the key properties of 4-(furan-2-yl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
4-(furan-2-yl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 230.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 749402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).