4,5-dibromothiophene-2-carbonitrile

C5HBr2NS — CID 23262276

IUPAC4,5-dibromothiophene-2-carbonitrile
SMILESN#Cc1cc(Br)c(Br)s1
InChIInChI=1S/C5HBr2NS/c6-4-1-3(2-8)9-5(4)7/h1H
InChIKeyHHCOJWYOPASKTG-UHFFFAOYSA-N
MW266.94 g/mol
LogP3.14
Rot. Bonds

About 4,5-dibromothiophene-2-carbonitrile

4,5-dibromothiophene-2-carbonitrile (PubChem CID 23262276) has the molecular formula C5HBr2NS and a molecular weight of 266.94 g/mol. Its IUPAC name is 4,5-dibromothiophene-2-carbonitrile.

Molecular Properties

Compound Name4,5-dibromothiophene-2-carbonitrile
PubChem CID23262276
Molecular FormulaC5HBr2NS
Molecular Weight266.94 g/mol
Exact Mass264.82
IUPAC Name4,5-dibromothiophene-2-carbonitrile
SMILESN#Cc1cc(Br)c(Br)s1
InChIInChI=1S/C5HBr2NS/c6-4-1-3(2-8)9-5(4)7/h1H
InChIKeyHHCOJWYOPASKTG-UHFFFAOYSA-N
XLogP3.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.94
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromothiophene-2-carbonitrile?
The IUPAC name of 4,5-dibromothiophene-2-carbonitrile (CID 23262276) is 4,5-dibromothiophene-2-carbonitrile.
What is the SMILES notation for 4,5-dibromothiophene-2-carbonitrile?
The canonical SMILES for 4,5-dibromothiophene-2-carbonitrile is N#Cc1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromothiophene-2-carbonitrile?
The InChIKey is HHCOJWYOPASKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBr2NS/c6-4-1-3(2-8)9-5(4)7/h1H.
What are the key properties of 4,5-dibromothiophene-2-carbonitrile?
4,5-dibromothiophene-2-carbonitrile has a molecular weight of 266.94 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromothiophene-2-carbonitrile is sourced from PubChem (CID 23262276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).