4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile

C11H7FN2 — CID 117001390

IUPAC4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(F)c2)c[nH]1
InChIInChI=1S/C11H7FN2/c12-10-3-1-2-8(4-10)9-5-11(6-13)14-7-9/h1-5,7,14H
InChIKeyWXQLWZSNIPGPNQ-UHFFFAOYSA-N
MW186.19 g/mol
LogP2.69
Rot. Bonds1

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

4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile (PubChem CID 117001390) has the molecular formula C11H7FN2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile
PubChem CID117001390
Molecular FormulaC11H7FN2
Molecular Weight186.19 g/mol
Exact Mass186.06
IUPAC Name4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(F)c2)c[nH]1
InChIInChI=1S/C11H7FN2/c12-10-3-1-2-8(4-10)9-5-11(6-13)14-7-9/h1-5,7,14H
InChIKeyWXQLWZSNIPGPNQ-UHFFFAOYSA-N
XLogP2.69
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-fluorophenyl)-1H-pyrrole-2-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

4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile
CID 166402810
3-fluoro-5-(3-fluorophenyl)benzonitrile
CID 46312350
2-bromo-5-(3-fluorophenyl)benzonitrile
CID 162689899
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136782415
2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
CID 46313536
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
2-(3-fluorophenyl)pyrimidine-5-carbonitrile
CID 45073377
5-(3-fluorophenyl)furan-2-carbonitrile
CID 19840641
2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 83535265
2-[5-(3-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 131869910
4-amino-3-(3-fluorophenyl)benzonitrile
CID 46314165

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile?
The IUPAC name of 4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile (CID 117001390) is 4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile is N#Cc1cc(-c2cccc(F)c2)c[nH]1.
What is the InChIKey of 4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile?
The InChIKey is WXQLWZSNIPGPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2/c12-10-3-1-2-8(4-10)9-5-11(6-13)14-7-9/h1-5,7,14H.
What are the key properties of 4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile?
4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile has a molecular weight of 186.19 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 117001390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).