2-(6-methyl-3-pyridinyl)acetonitrile

C8H8N2 — CID 11457715

IUPAC2-(6-methyl-3-pyridinyl)acetonitrile
SMILESCc1ccc(CC#N)cn1
InChIInChI=1S/C8H8N2/c1-7-2-3-8(4-5-9)6-10-7/h2-3,6H,4H2,1H3
InChIKeyZTPNSVPRINUIGX-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.46
Rot. Bonds1

About 2-(6-methyl-3-pyridinyl)acetonitrile

2-(6-methyl-3-pyridinyl)acetonitrile (PubChem CID 11457715) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)acetonitrile
PubChem CID11457715
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name2-(6-methyl-3-pyridinyl)acetonitrile
SMILESCc1ccc(CC#N)cn1
InChIInChI=1S/C8H8N2/c1-7-2-3-8(4-5-9)6-10-7/h2-3,6H,4H2,1H3
InChIKeyZTPNSVPRINUIGX-UHFFFAOYSA-N
XLogP1.46
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(6-methyl-3-pyridinyl)acetonitrile (CID 11457715) is 2-(6-methyl-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)acetonitrile is Cc1ccc(CC#N)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)acetonitrile?
The InChIKey is ZTPNSVPRINUIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-7-2-3-8(4-5-9)6-10-7/h2-3,6H,4H2,1H3.
What are the key properties of 2-(6-methyl-3-pyridinyl)acetonitrile?
2-(6-methyl-3-pyridinyl)acetonitrile has a molecular weight of 132.17 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)acetonitrile is sourced from PubChem (CID 11457715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).