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

C17H11BrN2OS — CID 143926979

IUPAC6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2ccc(Br)cc2)cc(-c2cccs2)c1C#N
InChIInChI=1S/C17H11BrN2OS/c1-21-17-14(10-19)13(16-3-2-8-22-16)9-15(20-17)11-4-6-12(18)7-5-11/h2-9H,1H3
InChIKeyOXCGYOUIMMXXKA-UHFFFAOYSA-N
MW371.26 g/mol
LogP5.12
Rot. Bonds3

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

6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 143926979) has the molecular formula C17H11BrN2OS and a molecular weight of 371.26 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID143926979
Molecular FormulaC17H11BrN2OS
Molecular Weight371.26 g/mol
Exact Mass369.98
IUPAC Name6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2ccc(Br)cc2)cc(-c2cccs2)c1C#N
InChIInChI=1S/C17H11BrN2OS/c1-21-17-14(10-19)13(16-3-2-8-22-16)9-15(20-17)11-4-6-12(18)7-5-11/h2-9H,1H3
InChIKeyOXCGYOUIMMXXKA-UHFFFAOYSA-N
XLogP5.12
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.26
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
CID 14950544
6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile
CID 14950530
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245
2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 10969383
6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile
CID 170458771
4-(2-hydroxyphenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 135692578
2-methoxy-4-naphthalen-1-yl-6-phenylpyridine-3-carbonitrile
CID 14066095
2-[[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-cyclopentylacetamide
CID 1004504
2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 56688107
2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 681158
2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3395715
2-amino-6-(3-fluorophenyl)-4-thiophen-2-ylpyridine-3-carbonitrile
CID 5118720

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile (CID 143926979) is 6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile is COc1nc(-c2ccc(Br)cc2)cc(-c2cccs2)c1C#N.
What is the InChIKey of 6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is OXCGYOUIMMXXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2OS/c1-21-17-14(10-19)13(16-3-2-8-22-16)9-15(20-17)11-4-6-12(18)7-5-11/h2-9H,1H3.
What are the key properties of 6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile?
6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 371.26 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 143926979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).