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

C18H14N2OS — CID 14435105

IUPAC2-ethylsulfanyl-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile
SMILESCCSc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C18H14N2OS/c1-2-22-18-15(12-19)14(17-9-6-10-21-17)11-16(20-18)13-7-4-3-5-8-13/h3-11H,2H2,1H3
InChIKeyZHJDZSRMHWYYQO-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.99
Rot. Bonds4

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

2-ethylsulfanyl-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile (PubChem CID 14435105) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethylsulfanyl-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile
PubChem CID14435105
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name2-ethylsulfanyl-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile
SMILESCCSc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C18H14N2OS/c1-2-22-18-15(12-19)14(17-9-6-10-21-17)11-16(20-18)13-7-4-3-5-8-13/h3-11H,2H2,1H3
InChIKeyZHJDZSRMHWYYQO-UHFFFAOYSA-N
XLogP4.99
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-ethylsulfanyl-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile (CID 14435105) is 2-ethylsulfanyl-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-ethylsulfanyl-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-ethylsulfanyl-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile is CCSc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N.
What is the InChIKey of 2-ethylsulfanyl-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is ZHJDZSRMHWYYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c1-2-22-18-15(12-19)14(17-9-6-10-21-17)11-16(20-18)13-7-4-3-5-8-13/h3-11H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile?
2-ethylsulfanyl-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 306.39 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 14435105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).