1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile

C16H10Cl2N2 — CID 91690059

IUPAC1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H10Cl2N2/c17-14-2-1-3-15(18)13(14)10-20-7-6-12-8-11(9-19)4-5-16(12)20/h1-8H,10H2
InChIKeyFCLYOXWKNITJQZ-UHFFFAOYSA-N
MW301.18 g/mol
LogP4.87
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile

1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile (PubChem CID 91690059) has the molecular formula C16H10Cl2N2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile
PubChem CID91690059
Molecular FormulaC16H10Cl2N2
Molecular Weight301.18 g/mol
Exact Mass300.02
IUPAC Name1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H10Cl2N2/c17-14-2-1-3-15(18)13(14)10-20-7-6-12-8-11(9-19)4-5-16(12)20/h1-8H,10H2
InChIKeyFCLYOXWKNITJQZ-UHFFFAOYSA-N
XLogP4.87
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile (CID 91690059) is 1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile is N#Cc1ccc2c(ccn2Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile?
The InChIKey is FCLYOXWKNITJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2/c17-14-2-1-3-15(18)13(14)10-20-7-6-12-8-11(9-19)4-5-16(12)20/h1-8H,10H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile?
1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile has a molecular weight of 301.18 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile is sourced from PubChem (CID 91690059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).