1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile

C11H6Cl2N2 — CID 95564348

IUPAC1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H6Cl2N2/c12-9-4-1-5-10(11(9)13)15-6-2-3-8(15)7-14/h1-6H
InChIKeyLWAZMLDFRNCSCM-UHFFFAOYSA-N
MW237.09 g/mol
LogP3.66
Rot. Bonds1

About 1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile

1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile (PubChem CID 95564348) has the molecular formula C11H6Cl2N2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile
PubChem CID95564348
Molecular FormulaC11H6Cl2N2
Molecular Weight237.09 g/mol
Exact Mass235.99
IUPAC Name1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H6Cl2N2/c12-9-4-1-5-10(11(9)13)15-6-2-3-8(15)7-14/h1-6H
InChIKeyLWAZMLDFRNCSCM-UHFFFAOYSA-N
XLogP3.66
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-cyanophenyl)pyrrole-2-carbonitrile
CID 114650817
1-(4-amino-2-chlorophenyl)pyrrole-2-carbonitrile
CID 114649933
1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653245
1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile
CID 116818304
1-(3-chloro-4-methylphenyl)pyrrole-2-carbonitrile
CID 19759418
1-(2-cyano-3-ethylsulfanylphenyl)pyrrole-2-carbonitrile
CID 114650795
1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile
CID 82419058
1-(2-cyano-4-methylphenyl)pyrrole-2-carbonitrile
CID 107928037
1-pyridin-2-ylpyrrole-2-carbonitrile
CID 114653179
1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile
CID 114649923
1-(4-chloro-1,3-thiazol-2-yl)pyrrole-2-carbonitrile
CID 114653573
1-(4-methylphenyl)pyrrole-2-carbonitrile
CID 2797715

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile (CID 95564348) is 1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile is N#Cc1cccn1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile?
The InChIKey is LWAZMLDFRNCSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2/c12-9-4-1-5-10(11(9)13)15-6-2-3-8(15)7-14/h1-6H.
What are the key properties of 1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile?
1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile has a molecular weight of 237.09 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 95564348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).