2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile

C18H14N2OS — CID 698201

IUPAC2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2cccs2)cc(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C18H14N2OS/c1-12-5-7-13(8-6-12)14-10-16(17-4-3-9-22-17)20-18(21-2)15(14)11-19/h3-10H,1-2H3
InChIKeyXTHDDXXWPFNIMJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.67
Rot. Bonds3

About 2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile

2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 698201) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID698201
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2cccs2)cc(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C18H14N2OS/c1-12-5-7-13(8-6-12)14-10-16(17-4-3-9-22-17)20-18(21-2)15(14)11-19/h3-10H,1-2H3
InChIKeyXTHDDXXWPFNIMJ-UHFFFAOYSA-N
XLogP4.67
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-4,6-diphenylpyridine-3-carbonitrile
CID 678565
4-(4-bromo-2-thienyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile
CID 2807448
4-(3,4-Dimethoxyphenyl)-2-methoxy-6-(2-thienyl)nicotinonitrile
CID 1315772
rac-2-(3-(1-(6-methoxypyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11530223
4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile
CID 1049792
2-Ethylsulfanyl-6-(4-methoxy-phenyl)-nicotinonitrile
CID 653669
2-(Ethylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile
CID 1067657
2-(Ethylthio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile
CID 1645174
4-(2-Methoxyphenyl)-6-(4-methoxyphenyl)-2-(propylsulfanyl)pyridine-3-carbonitrile
CID 3498792
2-Amino-4-(2-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
CID 44817565
2-Amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
CID 44817566
4-(2,4-Dichlorophenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
CID 145954496

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile (CID 698201) is 2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile is COc1nc(-c2cccs2)cc(-c2ccc(C)cc2)c1C#N.
What is the InChIKey of 2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is XTHDDXXWPFNIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c1-12-5-7-13(8-6-12)14-10-16(17-4-3-9-22-17)20-18(21-2)15(14)11-19/h3-10H,1-2H3.
What are the key properties of 2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 306.39 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 698201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).