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

C15H11N3 — CID 58215779

IUPAC1-methyl-2-pyridin-3-ylindole-3-carbonitrile
SMILESCn1c(-c2cccnc2)c(C#N)c2ccccc21
InChIInChI=1S/C15H11N3/c1-18-14-7-3-2-6-12(14)13(9-16)15(18)11-5-4-8-17-10-11/h2-8,10H,1H3
InChIKeyFVMKJWZVAYTOIF-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.11
Rot. Bonds1

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

1-methyl-2-pyridin-3-ylindole-3-carbonitrile (PubChem CID 58215779) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-methyl-2-pyridin-3-ylindole-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-pyridin-3-ylindole-3-carbonitrile
PubChem CID58215779
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name1-methyl-2-pyridin-3-ylindole-3-carbonitrile
SMILESCn1c(-c2cccnc2)c(C#N)c2ccccc21
InChIInChI=1S/C15H11N3/c1-18-14-7-3-2-6-12(14)13(9-16)15(18)11-5-4-8-17-10-11/h2-8,10H,1H3
InChIKeyFVMKJWZVAYTOIF-UHFFFAOYSA-N
XLogP3.11
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyridin-3-ylindole-3-carbonitrile?
The IUPAC name of 1-methyl-2-pyridin-3-ylindole-3-carbonitrile (CID 58215779) is 1-methyl-2-pyridin-3-ylindole-3-carbonitrile.
What is the SMILES notation for 1-methyl-2-pyridin-3-ylindole-3-carbonitrile?
The canonical SMILES for 1-methyl-2-pyridin-3-ylindole-3-carbonitrile is Cn1c(-c2cccnc2)c(C#N)c2ccccc21.
What is the InChIKey of 1-methyl-2-pyridin-3-ylindole-3-carbonitrile?
The InChIKey is FVMKJWZVAYTOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-18-14-7-3-2-6-12(14)13(9-16)15(18)11-5-4-8-17-10-11/h2-8,10H,1H3.
What are the key properties of 1-methyl-2-pyridin-3-ylindole-3-carbonitrile?
1-methyl-2-pyridin-3-ylindole-3-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyridin-3-ylindole-3-carbonitrile is sourced from PubChem (CID 58215779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).