2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile

C14H11ClN4 — CID 43168456

IUPAC2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(-c2ccc(C#N)c(Cl)c2)c1C
InChIInChI=1S/C14H11ClN4/c1-8-9(2)19(14(18)12(8)7-17)11-4-3-10(6-16)13(15)5-11/h3-5H,18H2,1-2H3
InChIKeyCCAMSIDPDXRVJM-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.07
Rot. Bonds1

About 2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile

2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile (PubChem CID 43168456) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile
PubChem CID43168456
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(-c2ccc(C#N)c(Cl)c2)c1C
InChIInChI=1S/C14H11ClN4/c1-8-9(2)19(14(18)12(8)7-17)11-4-3-10(6-16)13(15)5-11/h3-5H,18H2,1-2H3
InChIKeyCCAMSIDPDXRVJM-UHFFFAOYSA-N
XLogP3.07
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrrole-3-carbonitrile
CID 43336932
2-amino-1-(2,4-dichlorophenyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 43159090
2-amino-1-(3-bromo-5-methoxyphenyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 82859087
2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile
CID 66350871
2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 13072951
2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 63399685
4-amino-2-chlorobenzonitrile;ethane
CID 144555120
2-chloro-4-(4-hydroxy-3,5-dimethylpyrazol-1-yl)benzonitrile
CID 68967000
1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonitrile
CID 39351516
2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile
CID 71670443
2-chloro-4-(3-methyl-2,5-dioxopyrrol-1-yl)benzonitrile
CID 43237080
4-[2-(4-aminophenyl)imidazol-1-yl]-2-chlorobenzonitrile
CID 62944907

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile?
The IUPAC name of 2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile (CID 43168456) is 2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile is Cc1c(C#N)c(N)n(-c2ccc(C#N)c(Cl)c2)c1C.
What is the InChIKey of 2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile?
The InChIKey is CCAMSIDPDXRVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c1-8-9(2)19(14(18)12(8)7-17)11-4-3-10(6-16)13(15)5-11/h3-5H,18H2,1-2H3.
What are the key properties of 2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile?
2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile has a molecular weight of 270.72 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile is sourced from PubChem (CID 43168456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).