5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile

C15H8ClFN2 — CID 18476337

IUPAC5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile
SMILESN#Cc1c(-c2cccc(F)c2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H8ClFN2/c16-10-4-5-14-12(7-10)13(8-18)15(19-14)9-2-1-3-11(17)6-9/h1-7,19H
InChIKeyIGTYLGSUPODOSY-UHFFFAOYSA-N
MW270.69 g/mol
LogP4.50
Rot. Bonds1

About 5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile

5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile (PubChem CID 18476337) has the molecular formula C15H8ClFN2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile
PubChem CID18476337
Molecular FormulaC15H8ClFN2
Molecular Weight270.69 g/mol
Exact Mass270.04
IUPAC Name5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile
SMILESN#Cc1c(-c2cccc(F)c2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H8ClFN2/c16-10-4-5-14-12(7-10)13(8-18)15(19-14)9-2-1-3-11(17)6-9/h1-7,19H
InChIKeyIGTYLGSUPODOSY-UHFFFAOYSA-N
XLogP4.50
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile?
The IUPAC name of 5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile (CID 18476337) is 5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile.
What is the SMILES notation for 5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile?
The canonical SMILES for 5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile is N#Cc1c(-c2cccc(F)c2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile?
The InChIKey is IGTYLGSUPODOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN2/c16-10-4-5-14-12(7-10)13(8-18)15(19-14)9-2-1-3-11(17)6-9/h1-7,19H.
What are the key properties of 5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile?
5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile has a molecular weight of 270.69 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-fluorophenyl)-1H-indole-3-carbonitrile is sourced from PubChem (CID 18476337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).