2-methyl-4-propan-2-ylpyridine-3-carbonitrile

C10H12N2 — CID 4210277

IUPAC2-methyl-4-propan-2-ylpyridine-3-carbonitrile
SMILESCc1nccc(C(C)C)c1C#N
InChIInChI=1S/C10H12N2/c1-7(2)9-4-5-12-8(3)10(9)6-11/h4-5,7H,1-3H3
InChIKeyBATAXWWVGFZOAP-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.39
Rot. Bonds1

About 2-methyl-4-propan-2-ylpyridine-3-carbonitrile

2-methyl-4-propan-2-ylpyridine-3-carbonitrile (PubChem CID 4210277) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-methyl-4-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-propan-2-ylpyridine-3-carbonitrile
PubChem CID4210277
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-methyl-4-propan-2-ylpyridine-3-carbonitrile
SMILESCc1nccc(C(C)C)c1C#N
InChIInChI=1S/C10H12N2/c1-7(2)9-4-5-12-8(3)10(9)6-11/h4-5,7H,1-3H3
InChIKeyBATAXWWVGFZOAP-UHFFFAOYSA-N
XLogP2.39
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-methyl-4-propan-2-ylpyridine-3-carbonitrile (CID 4210277) is 2-methyl-4-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-4-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-4-propan-2-ylpyridine-3-carbonitrile is Cc1nccc(C(C)C)c1C#N.
What is the InChIKey of 2-methyl-4-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is BATAXWWVGFZOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7(2)9-4-5-12-8(3)10(9)6-11/h4-5,7H,1-3H3.
What are the key properties of 2-methyl-4-propan-2-ylpyridine-3-carbonitrile?
2-methyl-4-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 160.22 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 4210277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).