2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile

C12H10FN3 — CID 10176749

IUPAC2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile
SMILESCc1c(-c2ccccc2F)[nH]c(N)c1C#N
InChIInChI=1S/C12H10FN3/c1-7-9(6-14)12(15)16-11(7)8-4-2-3-5-10(8)13/h2-5,16H,15H2,1H3
InChIKeyKVDWOQGDMAEJLM-UHFFFAOYSA-N
MW215.23 g/mol
LogP2.58
Rot. Bonds1

About 2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile

2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile (PubChem CID 10176749) has the molecular formula C12H10FN3 and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile
PubChem CID10176749
Molecular FormulaC12H10FN3
Molecular Weight215.23 g/mol
Exact Mass215.09
IUPAC Name2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile
SMILESCc1c(-c2ccccc2F)[nH]c(N)c1C#N
InChIInChI=1S/C12H10FN3/c1-7-9(6-14)12(15)16-11(7)8-4-2-3-5-10(8)13/h2-5,16H,15H2,1H3
InChIKeyKVDWOQGDMAEJLM-UHFFFAOYSA-N
XLogP2.58
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ST001233
CID 610514
2-amino-4-phenyl-1H-pyrrole-3-carbonitrile
CID 2766873
2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 684194
2-Amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
CID 917384
2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile
CID 2763308
2-Amino-5,6-dimethyl-4-phenylnicotinonitrile
CID 650363
2-Amino-6-cyclopropyl-4-(4-fluorophenyl)nicotinonitrile
CID 686655
2-(Methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 1477168
2-Amino-6-ethyl-4-(4-fluorophenyl)-5-methylnicotinonitrile
CID 4639012
2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile
CID 387738
2-Amino-4,5-dimethyl-1-phenyl-1H-pyrrole-3-carbonitrile
CID 13012172
2-amino-1-methyl-5-phenyl-1H-pyrrole-3,4-dicarbonitrile
CID 660073

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile (CID 10176749) is 2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile is Cc1c(-c2ccccc2F)[nH]c(N)c1C#N.
What is the InChIKey of 2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile?
The InChIKey is KVDWOQGDMAEJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3/c1-7-9(6-14)12(15)16-11(7)8-4-2-3-5-10(8)13/h2-5,16H,15H2,1H3.
What are the key properties of 2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile?
2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile has a molecular weight of 215.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 10176749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).