3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile

C15H11N3 — CID 66633580

IUPAC3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile
SMILESCc1ccnc(C#N)c1-c1ccc2c[nH]cc2c1
InChIInChI=1S/C15H11N3/c1-10-4-5-18-14(7-16)15(10)11-2-3-12-8-17-9-13(12)6-11/h2-6,8-9,17H,1H3
InChIKeyDZELHQWOAACVAW-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.41
Rot. Bonds1

About 3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile

3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile (PubChem CID 66633580) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile
PubChem CID66633580
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile
SMILESCc1ccnc(C#N)c1-c1ccc2c[nH]cc2c1
InChIInChI=1S/C15H11N3/c1-10-4-5-18-14(7-16)15(10)11-2-3-12-8-17-9-13(12)6-11/h2-6,8-9,17H,1H3
InChIKeyDZELHQWOAACVAW-UHFFFAOYSA-N
XLogP3.41
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile?
The IUPAC name of 3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile (CID 66633580) is 3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile.
What is the SMILES notation for 3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile?
The canonical SMILES for 3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile is Cc1ccnc(C#N)c1-c1ccc2c[nH]cc2c1.
What is the InChIKey of 3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile?
The InChIKey is DZELHQWOAACVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-10-4-5-18-14(7-16)15(10)11-2-3-12-8-17-9-13(12)6-11/h2-6,8-9,17H,1H3.
What are the key properties of 3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile?
3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 66633580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).