2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile

C15H13N3 — CID 62232169

IUPAC2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2Cc3ccccc3C2)n1
InChIInChI=1S/C15H13N3/c1-11-6-7-12(8-16)15(17-11)18-9-13-4-2-3-5-14(13)10-18/h2-7H,9-10H2,1H3
InChIKeyNRYLOVYWAVMBJM-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.78
Rot. Bonds1

About 2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile

2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile (PubChem CID 62232169) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile
PubChem CID62232169
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2Cc3ccccc3C2)n1
InChIInChI=1S/C15H13N3/c1-11-6-7-12(8-16)15(17-11)18-9-13-4-2-3-5-14(13)10-18/h2-7H,9-10H2,1H3
InChIKeyNRYLOVYWAVMBJM-UHFFFAOYSA-N
XLogP2.78
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile (CID 62232169) is 2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N2Cc3ccccc3C2)n1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile?
The InChIKey is NRYLOVYWAVMBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-11-6-7-12(8-16)15(17-11)18-9-13-4-2-3-5-14(13)10-18/h2-7H,9-10H2,1H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile?
2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 62232169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).