3-bromothiophene-2-carbonitrile

C5H2BrNS — CID 2740088

IUPAC3-bromothiophene-2-carbonitrile
SMILESN#Cc1sccc1Br
InChIInChI=1S/C5H2BrNS/c6-4-1-2-8-5(4)3-7/h1-2H
InChIKeyRNIRKEQGYHHNSE-UHFFFAOYSA-N
MW188.05 g/mol
LogP2.38
Rot. Bonds

About 3-bromothiophene-2-carbonitrile

3-bromothiophene-2-carbonitrile (PubChem CID 2740088) has the molecular formula C5H2BrNS and a molecular weight of 188.05 g/mol. Its IUPAC name is 3-bromothiophene-2-carbonitrile.

Molecular Properties

Compound Name3-bromothiophene-2-carbonitrile
PubChem CID2740088
Molecular FormulaC5H2BrNS
Molecular Weight188.05 g/mol
Exact Mass186.91
IUPAC Name3-bromothiophene-2-carbonitrile
SMILESN#Cc1sccc1Br
InChIInChI=1S/C5H2BrNS/c6-4-1-2-8-5(4)3-7/h1-2H
InChIKeyRNIRKEQGYHHNSE-UHFFFAOYSA-N
XLogP2.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.05
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromothiophene-2-carbonitrile?
The IUPAC name of 3-bromothiophene-2-carbonitrile (CID 2740088) is 3-bromothiophene-2-carbonitrile.
What is the SMILES notation for 3-bromothiophene-2-carbonitrile?
The canonical SMILES for 3-bromothiophene-2-carbonitrile is N#Cc1sccc1Br.
What is the InChIKey of 3-bromothiophene-2-carbonitrile?
The InChIKey is RNIRKEQGYHHNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrNS/c6-4-1-2-8-5(4)3-7/h1-2H.
What are the key properties of 3-bromothiophene-2-carbonitrile?
3-bromothiophene-2-carbonitrile has a molecular weight of 188.05 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromothiophene-2-carbonitrile is sourced from PubChem (CID 2740088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).