5-(bromomethyl)-4-chlorothiophene-2-carbonitrile

C6H3BrClNS — CID 142647058

IUPAC5-(bromomethyl)-4-chlorothiophene-2-carbonitrile
SMILESN#Cc1cc(Cl)c(CBr)s1
InChIInChI=1S/C6H3BrClNS/c7-2-6-5(8)1-4(3-9)10-6/h1H,2H2
InChIKeyWLDXTBHXXNTYSA-UHFFFAOYSA-N
MW236.52 g/mol
LogP3.17
Rot. Bonds1

About 5-(bromomethyl)-4-chlorothiophene-2-carbonitrile

5-(bromomethyl)-4-chlorothiophene-2-carbonitrile (PubChem CID 142647058) has the molecular formula C6H3BrClNS and a molecular weight of 236.52 g/mol. Its IUPAC name is 5-(bromomethyl)-4-chlorothiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(bromomethyl)-4-chlorothiophene-2-carbonitrile
PubChem CID142647058
Molecular FormulaC6H3BrClNS
Molecular Weight236.52 g/mol
Exact Mass234.89
IUPAC Name5-(bromomethyl)-4-chlorothiophene-2-carbonitrile
SMILESN#Cc1cc(Cl)c(CBr)s1
InChIInChI=1S/C6H3BrClNS/c7-2-6-5(8)1-4(3-9)10-6/h1H,2H2
InChIKeyWLDXTBHXXNTYSA-UHFFFAOYSA-N
XLogP3.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.52
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[5-(bromomethyl)-4-chlorothiophen-2-yl]ethanone
CID 165141299
4-amino-5-chlorothiophene-2-carbonitrile
CID 82415710
4-(bromomethyl)thiophene-2-carbonitrile
CID 158246643
5-(bromomethyl)-6-hydroxy-1-benzothiophene-2-carbonitrile
CID 131096686
2-(bromomethyl)-1,3-thiazole-5-carbonitrile
CID 58019012
2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene
CID 57224673
4-bromo-5-(2-chloroacetyl)thiophene-2-carbonitrile
CID 86618589
2-(bromomethyl)thiophene-3-carbonitrile
CID 22503620
2-(bromomethyl)-6-chloro-4-fluorobenzonitrile
CID 147490286
2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile
CID 133062892
4-ethyl-5-methylthiophene-2-carbonitrile
CID 134547860
4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile
CID 89336705

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-chlorothiophene-2-carbonitrile?
The IUPAC name of 5-(bromomethyl)-4-chlorothiophene-2-carbonitrile (CID 142647058) is 5-(bromomethyl)-4-chlorothiophene-2-carbonitrile.
What is the SMILES notation for 5-(bromomethyl)-4-chlorothiophene-2-carbonitrile?
The canonical SMILES for 5-(bromomethyl)-4-chlorothiophene-2-carbonitrile is N#Cc1cc(Cl)c(CBr)s1.
What is the InChIKey of 5-(bromomethyl)-4-chlorothiophene-2-carbonitrile?
The InChIKey is WLDXTBHXXNTYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClNS/c7-2-6-5(8)1-4(3-9)10-6/h1H,2H2.
What are the key properties of 5-(bromomethyl)-4-chlorothiophene-2-carbonitrile?
5-(bromomethyl)-4-chlorothiophene-2-carbonitrile has a molecular weight of 236.52 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-chlorothiophene-2-carbonitrile is sourced from PubChem (CID 142647058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).