6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile

C15H10ClN3 — CID 58215749

IUPAC6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile
SMILESCn1c(-c2cccnc2)c(C#N)c2ccc(Cl)cc21
InChIInChI=1S/C15H10ClN3/c1-19-14-7-11(16)4-5-12(14)13(8-17)15(19)10-3-2-6-18-9-10/h2-7,9H,1H3
InChIKeyXEXRJWZOURZUCX-UHFFFAOYSA-N
MW267.72 g/mol
LogP3.77
Rot. Bonds1

About 6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile

6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile (PubChem CID 58215749) has the molecular formula C15H10ClN3 and a molecular weight of 267.72 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile
PubChem CID58215749
Molecular FormulaC15H10ClN3
Molecular Weight267.72 g/mol
Exact Mass267.06
IUPAC Name6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile
SMILESCn1c(-c2cccnc2)c(C#N)c2ccc(Cl)cc21
InChIInChI=1S/C15H10ClN3/c1-19-14-7-11(16)4-5-12(14)13(8-17)15(19)10-3-2-6-18-9-10/h2-7,9H,1H3
InChIKeyXEXRJWZOURZUCX-UHFFFAOYSA-N
XLogP3.77
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(R)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
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5-Chloro-1-(4-fluoro-phenyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 15648963
1-(4-chlorobenzyl)-3-(2-nitrovinyl)-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile?
The IUPAC name of 6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile (CID 58215749) is 6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile.
What is the SMILES notation for 6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile?
The canonical SMILES for 6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile is Cn1c(-c2cccnc2)c(C#N)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile?
The InChIKey is XEXRJWZOURZUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3/c1-19-14-7-11(16)4-5-12(14)13(8-17)15(19)10-3-2-6-18-9-10/h2-7,9H,1H3.
What are the key properties of 6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile?
6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile has a molecular weight of 267.72 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-2-pyridin-3-ylindole-3-carbonitrile is sourced from PubChem (CID 58215749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).