1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile

C13H10Cl2N2 — CID 39364428

IUPAC1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile
SMILESCc1cc(C#N)c(C)n1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl2N2/c1-8-3-10(7-16)9(2)17(8)13-5-11(14)4-12(15)6-13/h3-6H,1-2H3
InChIKeyUNXMRPYKDRSQTA-UHFFFAOYSA-N
MW265.14 g/mol
LogP4.27
Rot. Bonds1

About 1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile

1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile (PubChem CID 39364428) has the molecular formula C13H10Cl2N2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile
PubChem CID39364428
Molecular FormulaC13H10Cl2N2
Molecular Weight265.14 g/mol
Exact Mass264.02
IUPAC Name1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile
SMILESCc1cc(C#N)c(C)n1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl2N2/c1-8-3-10(7-16)9(2)17(8)13-5-11(14)4-12(15)6-13/h3-6H,1-2H3
InChIKeyUNXMRPYKDRSQTA-UHFFFAOYSA-N
XLogP4.27
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonitrile
CID 39351516
2-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]acetonitrile
CID 12951949
1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrole-3-carbonitrile
CID 39348499
1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 1121681
1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonitrile
CID 20888478
3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile
CID 2478622
1-(5-chloro-2-cyanophenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 64920064
1-[4-(1H-benzimidazol-2-yl)phenyl]-2,5-dimethylpyrrole-3-carbonitrile
CID 2080971
1-(3-chloro-4-fluorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile
CID 82420458
2-(4-chlorophenyl)-3-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enenitrile
CID 3121509
CID 164906500
CID 164906500
5-(2,5-dimethylpyrrol-1-yl)-2-fluorobenzonitrile
CID 62316510

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile?
The IUPAC name of 1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile (CID 39364428) is 1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile is Cc1cc(C#N)c(C)n1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile?
The InChIKey is UNXMRPYKDRSQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2/c1-8-3-10(7-16)9(2)17(8)13-5-11(14)4-12(15)6-13/h3-6H,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile?
1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile has a molecular weight of 265.14 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbonitrile is sourced from PubChem (CID 39364428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).