5-chloro-2-phenyl-1H-indole-3-carbonitrile

C15H9ClN2 — CID 22083583

IUPAC5-chloro-2-phenyl-1H-indole-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H9ClN2/c16-11-6-7-14-12(8-11)13(9-17)15(18-14)10-4-2-1-3-5-10/h1-8,18H
InChIKeyKVHDVRUHAGRYPJ-UHFFFAOYSA-N
MW252.70 g/mol
LogP4.36
Rot. Bonds1

About 5-chloro-2-phenyl-1H-indole-3-carbonitrile

5-chloro-2-phenyl-1H-indole-3-carbonitrile (PubChem CID 22083583) has the molecular formula C15H9ClN2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-chloro-2-phenyl-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-phenyl-1H-indole-3-carbonitrile
PubChem CID22083583
Molecular FormulaC15H9ClN2
Molecular Weight252.70 g/mol
Exact Mass252.05
IUPAC Name5-chloro-2-phenyl-1H-indole-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H9ClN2/c16-11-6-7-14-12(8-11)13(9-17)15(18-14)10-4-2-1-3-5-10/h1-8,18H
InChIKeyKVHDVRUHAGRYPJ-UHFFFAOYSA-N
XLogP4.36
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenyl-1H-indole-3-carbonitrile?
The IUPAC name of 5-chloro-2-phenyl-1H-indole-3-carbonitrile (CID 22083583) is 5-chloro-2-phenyl-1H-indole-3-carbonitrile.
What is the SMILES notation for 5-chloro-2-phenyl-1H-indole-3-carbonitrile?
The canonical SMILES for 5-chloro-2-phenyl-1H-indole-3-carbonitrile is N#Cc1c(-c2ccccc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-2-phenyl-1H-indole-3-carbonitrile?
The InChIKey is KVHDVRUHAGRYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2/c16-11-6-7-14-12(8-11)13(9-17)15(18-14)10-4-2-1-3-5-10/h1-8,18H.
What are the key properties of 5-chloro-2-phenyl-1H-indole-3-carbonitrile?
5-chloro-2-phenyl-1H-indole-3-carbonitrile has a molecular weight of 252.70 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenyl-1H-indole-3-carbonitrile is sourced from PubChem (CID 22083583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).