5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile

C12H8BrNOS — CID 82094398

IUPAC5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)s2)cc1Br
InChIInChI=1S/C12H8BrNOS/c1-15-11-4-2-8(6-10(11)13)12-5-3-9(7-14)16-12/h2-6H,1H3
InChIKeyQYHMEGYFKONRAQ-UHFFFAOYSA-N
MW294.17 g/mol
LogP4.06
Rot. Bonds2

About 5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile

5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile (PubChem CID 82094398) has the molecular formula C12H8BrNOS and a molecular weight of 294.17 g/mol. Its IUPAC name is 5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile
PubChem CID82094398
Molecular FormulaC12H8BrNOS
Molecular Weight294.17 g/mol
Exact Mass292.95
IUPAC Name5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)s2)cc1Br
InChIInChI=1S/C12H8BrNOS/c1-15-11-4-2-8(6-10(11)13)12-5-3-9(7-14)16-12/h2-6H,1H3
InChIKeyQYHMEGYFKONRAQ-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

5-(3,4-dimethoxyphenyl)thiophene-2-carbonitrile
CID 25132175
5-(3-methoxyphenyl)thiophene-2-carbonitrile
CID 82078599
5-(4-methoxy-2,5-dimethylphenyl)thiophene-2-carbonitrile
CID 82085172
5-(2,3-dimethoxyphenyl)thiophene-2-carbonitrile
CID 165489137
5-[4-(dimethylamino)phenyl]thiophene-2-carbonitrile
CID 170871522
5-[4-(trifluoromethyl)phenyl]thiophene-2-carbonitrile
CID 11242212
5-(5-bromothiophen-2-yl)-2-propan-2-yloxybenzonitrile
CID 58367148
4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
CID 57313510
4-amino-2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 106951390
2-chloro-5-(5-cyanothiophen-2-yl)benzoic acid
CID 62065584
3-(3-bromo-4-methoxyanilino)-2,2-dimethylpropanenitrile
CID 115233763
4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile
CID 121013654

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile?
The IUPAC name of 5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile (CID 82094398) is 5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile is COc1ccc(-c2ccc(C#N)s2)cc1Br.
What is the InChIKey of 5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile?
The InChIKey is QYHMEGYFKONRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNOS/c1-15-11-4-2-8(6-10(11)13)12-5-3-9(7-14)16-12/h2-6H,1H3.
What are the key properties of 5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile?
5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile 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 5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile is sourced from PubChem (CID 82094398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).