2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile

Name: 2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₂N₂ — CID 130544380

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile

SMILESCc1cnccc1C(C)(C)C#N

InChIInChI=1S/C10H12N2/c1-8-6-12-5-4-9(8)10(2,3)7-11/h4-6H,1-3H3

InChIKeyCXASZTVVLBPHMY-UHFFFAOYSA-N

MW160.22 g/mol

LogP2.19

Rot. Bonds1

About 2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile

2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile (PubChem CID 130544380) has the molecular formula C₁₀H₁₂N₂ and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile.

Molecular Properties

Compound Name	2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile
PubChem CID	130544380
Molecular Formula	C₁₀H₁₂N₂
Molecular Weight	160.22 g/mol
Exact Mass	160.10
IUPAC Name	2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile
SMILES	Cc1cnccc1C(C)(C)C#N
InChI	InChI=1S/C10H12N2/c1-8-6-12-5-4-9(8)10(2,3)7-11/h4-6H,1-3H3
InChIKey	CXASZTVVLBPHMY-UHFFFAOYSA-N
XLogP	2.19
TPSA	36.68 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	160.22
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile?

The IUPAC name of 2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile (CID 130544380) is 2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile.

What is the SMILES notation for 2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile?

The canonical SMILES for 2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile is Cc1cnccc1C(C)(C)C#N.

What is the InChIKey of 2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile?

The InChIKey is CXASZTVVLBPHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-6-12-5-4-9(8)10(2,3)7-11/h4-6H,1-3H3.

What are the key properties of 2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile?

2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile has a molecular weight of 160.22 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile is sourced from PubChem (CID 130544380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 130544380 — identifiers, structure, computed properties (public domain)

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