4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile

C12H8BrNOS — CID 121013654

IUPAC4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile
SMILESCOc1cc(Br)sc1-c1ccc(C#N)cc1
InChIInChI=1S/C12H8BrNOS/c1-15-10-6-11(13)16-12(10)9-4-2-8(7-14)3-5-9/h2-6H,1H3
InChIKeyUWEQKWHILOYSTD-UHFFFAOYSA-N
MW294.17 g/mol
LogP4.06
Rot. Bonds2

About 4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile

4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile (PubChem CID 121013654) has the molecular formula C12H8BrNOS and a molecular weight of 294.17 g/mol. Its IUPAC name is 4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile
PubChem CID121013654
Molecular FormulaC12H8BrNOS
Molecular Weight294.17 g/mol
Exact Mass292.95
IUPAC Name4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile
SMILESCOc1cc(Br)sc1-c1ccc(C#N)cc1
InChIInChI=1S/C12H8BrNOS/c1-15-10-6-11(13)16-12(10)9-4-2-8(7-14)3-5-9/h2-6H,1H3
InChIKeyUWEQKWHILOYSTD-UHFFFAOYSA-N
XLogP4.06
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-bromo-5-(4-methoxyphenyl)thiophen-2-yl]benzonitrile
CID 89479794
4-(3,4-dimethoxyphenyl)benzonitrile
CID 11195791
4-(2,3,4,6-tetramethoxyphenyl)benzonitrile
CID 11771002
3-methoxy-4-sulfanylbenzonitrile
CID 4713200
4-(3-methoxy-2-pyridinyl)benzonitrile
CID 67291948
4-[(2,5-dibromo-4-methoxyphenoxy)methyl]benzonitrile
CID 79415836
4-[2-(4-chlorophenyl)-7-methoxythieno[3,2-b]pyridin-3-yl]benzonitrile
CID 122220451
4-methoxy(13C)benzonitrile
CID 175991125
5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 104840155
4-[3-[2-[2-(4-cyanophenyl)-5-(4-methoxyphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)thiophen-2-yl]benzonitrile
CID 89484002
5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride
CID 54293820
5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile
CID 82094398

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile?
The IUPAC name of 4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile (CID 121013654) is 4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile.
What is the SMILES notation for 4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile?
The canonical SMILES for 4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile is COc1cc(Br)sc1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile?
The InChIKey is UWEQKWHILOYSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNOS/c1-15-10-6-11(13)16-12(10)9-4-2-8(7-14)3-5-9/h2-6H,1H3.
What are the key properties of 4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile?
4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile has a molecular weight of 294.17 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile is sourced from PubChem (CID 121013654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).