2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile

C20H12ClN3 — CID 142008095

IUPAC2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3cncc(-c4cccc(Cl)c4)c3)cc2c1
InChIInChI=1S/C20H12ClN3/c21-18-3-1-2-14(8-18)16-7-17(12-23-11-16)20-9-15-6-13(10-22)4-5-19(15)24-20/h1-9,11-12,24H
InChIKeyLHCBHDXCPLDULV-UHFFFAOYSA-N
MW329.79 g/mol
LogP5.42
Rot. Bonds2

About 2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile

2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile (PubChem CID 142008095) has the molecular formula C20H12ClN3 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile
PubChem CID142008095
Molecular FormulaC20H12ClN3
Molecular Weight329.79 g/mol
Exact Mass329.07
IUPAC Name2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3cncc(-c4cccc(Cl)c4)c3)cc2c1
InChIInChI=1S/C20H12ClN3/c21-18-3-1-2-14(8-18)16-7-17(12-23-11-16)20-9-15-6-13(10-22)4-5-19(15)24-20/h1-9,11-12,24H
InChIKeyLHCBHDXCPLDULV-UHFFFAOYSA-N
XLogP5.42
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.79
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile?
The IUPAC name of 2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile (CID 142008095) is 2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]c(-c3cncc(-c4cccc(Cl)c4)c3)cc2c1.
What is the InChIKey of 2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile?
The InChIKey is LHCBHDXCPLDULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN3/c21-18-3-1-2-14(8-18)16-7-17(12-23-11-16)20-9-15-6-13(10-22)4-5-19(15)24-20/h1-9,11-12,24H.
What are the key properties of 2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile?
2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile has a molecular weight of 329.79 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 142008095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).