2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile

C18H13FN2O — CID 156877232

IUPAC2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile
SMILESN#Cc1c(C2CC2)n(-c2ccc(F)cc2)c2ccc(O)cc12
InChIInChI=1S/C18H13FN2O/c19-12-3-5-13(6-4-12)21-17-8-7-14(22)9-15(17)16(10-20)18(21)11-1-2-11/h3-9,11,22H,1-2H2
InChIKeyUPJTUJPVHSPMGA-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.22
Rot. Bonds2

About 2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile

2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile (PubChem CID 156877232) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile
PubChem CID156877232
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile
SMILESN#Cc1c(C2CC2)n(-c2ccc(F)cc2)c2ccc(O)cc12
InChIInChI=1S/C18H13FN2O/c19-12-3-5-13(6-4-12)21-17-8-7-14(22)9-15(17)16(10-20)18(21)11-1-2-11/h3-9,11,22H,1-2H2
InChIKeyUPJTUJPVHSPMGA-UHFFFAOYSA-N
XLogP4.22
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile?
The IUPAC name of 2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile (CID 156877232) is 2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile?
The canonical SMILES for 2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile is N#Cc1c(C2CC2)n(-c2ccc(F)cc2)c2ccc(O)cc12.
What is the InChIKey of 2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile?
The InChIKey is UPJTUJPVHSPMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c19-12-3-5-13(6-4-12)21-17-8-7-14(22)9-15(17)16(10-20)18(21)11-1-2-11/h3-9,11,22H,1-2H2.
What are the key properties of 2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile?
2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile has a molecular weight of 292.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile is sourced from PubChem (CID 156877232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).