4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C18H13BrN2O2S — CID 19656683

IUPAC4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3cc(Br)c(C)s3)c(C#N)c(=O)[nH]2)c1
InChIInChI=1S/C18H13BrN2O2S/c1-10-15(19)8-17(24-10)13-7-16(21-18(22)14(13)9-20)11-4-3-5-12(6-11)23-2/h3-8H,1-2H3,(H,21,22)
InChIKeyLQZZTFGZEQEPCW-UHFFFAOYSA-N
MW401.29 g/mol
LogP4.72
Rot. Bonds3

About 4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656683) has the molecular formula C18H13BrN2O2S and a molecular weight of 401.29 g/mol. Its IUPAC name is 4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19656683
Molecular FormulaC18H13BrN2O2S
Molecular Weight401.29 g/mol
Exact Mass399.99
IUPAC Name4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3cc(Br)c(C)s3)c(C#N)c(=O)[nH]2)c1
InChIInChI=1S/C18H13BrN2O2S/c1-10-15(19)8-17(24-10)13-7-16(21-18(22)14(13)9-20)11-4-3-5-12(6-11)23-2/h3-8H,1-2H3,(H,21,22)
InChIKeyLQZZTFGZEQEPCW-UHFFFAOYSA-N
XLogP4.72
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromo-5-methylthiophen-2-yl)-6-(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656675
4-(4-bromo-5-methylthiophen-2-yl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656686
4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657125
6-(3-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 1472841
4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 19656648
4-[2-(3-methoxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584675
4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2825970
6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile
CID 724369
2-amino-4-[2-(3-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393888
6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657202
4-(4-bromo-5-ethylthiophen-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 19657074
6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656714

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19656683) is 4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is COc1cccc(-c2cc(-c3cc(Br)c(C)s3)c(C#N)c(=O)[nH]2)c1.
What is the InChIKey of 4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is LQZZTFGZEQEPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O2S/c1-10-15(19)8-17(24-10)13-7-16(21-18(22)14(13)9-20)11-4-3-5-12(6-11)23-2/h3-8H,1-2H3,(H,21,22).
What are the key properties of 4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 401.29 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).