3-chloro-1,5-dimethylpyrrole-2-carbonitrile

C7H7ClN2 — CID 125116040

IUPAC3-chloro-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1cc(Cl)c(C#N)n1C
InChIInChI=1S/C7H7ClN2/c1-5-3-6(8)7(4-9)10(5)2/h3H,1-2H3
InChIKeyGOUZOMYZHVVEGV-UHFFFAOYSA-N
MW154.60 g/mol
LogP1.86
Rot. Bonds

About 3-chloro-1,5-dimethylpyrrole-2-carbonitrile

3-chloro-1,5-dimethylpyrrole-2-carbonitrile (PubChem CID 125116040) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is 3-chloro-1,5-dimethylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-1,5-dimethylpyrrole-2-carbonitrile
PubChem CID125116040
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name3-chloro-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1cc(Cl)c(C#N)n1C
InChIInChI=1S/C7H7ClN2/c1-5-3-6(8)7(4-9)10(5)2/h3H,1-2H3
InChIKeyGOUZOMYZHVVEGV-UHFFFAOYSA-N
XLogP1.86
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1,5-dimethylpyrrole-2-carbonitrile
CID 102084909
3-chloro-4-(2,5-dimethylpyrrol-1-yl)benzonitrile
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3-(4-chloro-2-fluoro-5-iodophenyl)-1,4-dimethylpyrazole-5-carbonitrile
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2-chloro-1-methylimidazole-4,5-dicarbonitrile
CID 10607171
3-(2,5-dichlorophenyl)-1,4-dimethylpyrazole-5-carbonitrile
CID 86198521
6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile
CID 171820077
1-[2-(4-chlorophenoxy)ethyl]-3,5-dimethylpyrrole-2-carbonitrile
CID 84616542
5,7-dichloro-1,2-dimethylindole
CID 155122072
1-(3-chloro-4-methylphenyl)pyrrole-2-carbonitrile
CID 19759418
1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile
CID 82419058
1-(3-chloro-4-fluorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile
CID 82420458
2-(1,2,5-trimethylpyrrol-3-yl)prop-2-enenitrile
CID 23456187

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,5-dimethylpyrrole-2-carbonitrile?
The IUPAC name of 3-chloro-1,5-dimethylpyrrole-2-carbonitrile (CID 125116040) is 3-chloro-1,5-dimethylpyrrole-2-carbonitrile.
What is the SMILES notation for 3-chloro-1,5-dimethylpyrrole-2-carbonitrile?
The canonical SMILES for 3-chloro-1,5-dimethylpyrrole-2-carbonitrile is Cc1cc(Cl)c(C#N)n1C.
What is the InChIKey of 3-chloro-1,5-dimethylpyrrole-2-carbonitrile?
The InChIKey is GOUZOMYZHVVEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2/c1-5-3-6(8)7(4-9)10(5)2/h3H,1-2H3.
What are the key properties of 3-chloro-1,5-dimethylpyrrole-2-carbonitrile?
3-chloro-1,5-dimethylpyrrole-2-carbonitrile has a molecular weight of 154.60 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,5-dimethylpyrrole-2-carbonitrile is sourced from PubChem (CID 125116040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).