2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile

C17H11FN2O — CID 141190979

IUPAC2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile
SMILESN#Cc1c(O)cn(-c2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H11FN2O/c18-13-8-6-12(7-9-13)17-15(10-19)16(21)11-20(17)14-4-2-1-3-5-14/h1-9,11,21H
InChIKeyIYTHKRLLJWBWLQ-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.86
Rot. Bonds2

About 2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile

2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile (PubChem CID 141190979) has the molecular formula C17H11FN2O and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile
PubChem CID141190979
Molecular FormulaC17H11FN2O
Molecular Weight278.29 g/mol
Exact Mass278.09
IUPAC Name2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile
SMILESN#Cc1c(O)cn(-c2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H11FN2O/c18-13-8-6-12(7-9-13)17-15(10-19)16(21)11-20(17)14-4-2-1-3-5-14/h1-9,11,21H
InChIKeyIYTHKRLLJWBWLQ-UHFFFAOYSA-N
XLogP3.86
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-diphenyl-4-(trifluoromethyl)pyrrole-3-carbonitrile
CID 140991511
4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium
CID 25068459
(E)-3-[4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]prop-2-enenitrile
CID 67920155
2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 12601373
4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
CID 175962931
1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid
CID 77231600
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1-phenyl-4-(trifluoromethyl)pyrrole
CID 59125671
5-(4-fluorophenyl)-1-phenylpyrazole-4-carbothioamide
CID 90184500
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1-phenylpyrazole-3-carbonitrile
CID 19041436
1,2-diphenylpyrrole-3,4-diamine
CID 67204973
5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione
CID 24964312
2-[3-cyano-4-(4-fluorophenyl)pyrrol-1-yl]acetic acid
CID 11680325

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile?
The IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile (CID 141190979) is 2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile?
The canonical SMILES for 2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile is N#Cc1c(O)cn(-c2ccccc2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile?
The InChIKey is IYTHKRLLJWBWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O/c18-13-8-6-12(7-9-13)17-15(10-19)16(21)11-20(17)14-4-2-1-3-5-14/h1-9,11,21H.
What are the key properties of 2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile?
2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile has a molecular weight of 278.29 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile is sourced from PubChem (CID 141190979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).