2,2-dimethyl-3H-pyridine

C7H11N — CID 91431547

IUPAC2,2-dimethyl-3H-pyridine
SMILESCC1(C)CC=CC=N1
InChIInChI=1S/C7H11N/c1-7(2)5-3-4-6-8-7/h3-4,6H,5H2,1-2H3
InChIKeyQAOKLGHVLGANQB-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds

About 2,2-dimethyl-3H-pyridine

2,2-dimethyl-3H-pyridine (PubChem CID 91431547) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2,2-dimethyl-3H-pyridine.

Molecular Properties

Compound Name2,2-dimethyl-3H-pyridine
PubChem CID91431547
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2,2-dimethyl-3H-pyridine
SMILESCC1(C)CC=CC=N1
InChIInChI=1S/C7H11N/c1-7(2)5-3-4-6-8-7/h3-4,6H,5H2,1-2H3
InChIKeyQAOKLGHVLGANQB-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-3H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3H-pyridine?
The IUPAC name of 2,2-dimethyl-3H-pyridine (CID 91431547) is 2,2-dimethyl-3H-pyridine.
What is the SMILES notation for 2,2-dimethyl-3H-pyridine?
The canonical SMILES for 2,2-dimethyl-3H-pyridine is CC1(C)CC=CC=N1.
What is the InChIKey of 2,2-dimethyl-3H-pyridine?
The InChIKey is QAOKLGHVLGANQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-7(2)5-3-4-6-8-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 2,2-dimethyl-3H-pyridine?
2,2-dimethyl-3H-pyridine has a molecular weight of 109.17 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3H-pyridine is sourced from PubChem (CID 91431547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).