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

C13H12FN3 — CID 13072951

IUPAC2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(-c2ccccc2F)c1C
InChIInChI=1S/C13H12FN3/c1-8-9(2)17(13(16)10(8)7-15)12-6-4-3-5-11(12)14/h3-6H,16H2,1-2H3
InChIKeyGFMYPLAZDNJBHN-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.69
Rot. Bonds1

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

2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile (PubChem CID 13072951) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile
PubChem CID13072951
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(-c2ccccc2F)c1C
InChIInChI=1S/C13H12FN3/c1-8-9(2)17(13(16)10(8)7-15)12-6-4-3-5-11(12)14/h3-6H,16H2,1-2H3
InChIKeyGFMYPLAZDNJBHN-UHFFFAOYSA-N
XLogP2.69
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-fluoro-2-methylphenyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 43159131
2-amino-1-(2,4-dichlorophenyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 43159090
2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 63399685
2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile
CID 66350871
5-amino-1-(2-fluorophenyl)pyrazole-4-carbonitrile
CID 15698846
2-amino-4,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrrole-3-carbonitrile
CID 43336932
2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 43168456
5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile
CID 102795510
2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile
CID 54949070
2-amino-1-[(2,4-difluorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile
CID 55052993
2-amino-1-(3-bromo-5-methoxyphenyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 82859087
2-amino-1-(2,2-difluoroethyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 115408294

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile?
The IUPAC name of 2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile (CID 13072951) is 2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile is Cc1c(C#N)c(N)n(-c2ccccc2F)c1C.
What is the InChIKey of 2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile?
The InChIKey is GFMYPLAZDNJBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3/c1-8-9(2)17(13(16)10(8)7-15)12-6-4-3-5-11(12)14/h3-6H,16H2,1-2H3.
What are the key properties of 2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile?
2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile has a molecular weight of 229.26 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile is sourced from PubChem (CID 13072951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).