2-Methyl picoline

C7H11N — CID 18347293

IUPAC2,2-dimethyl-1H-pyridine
SMILESCC1(C=CC=CN1)C
InChIInChI=1S/C7H11N/c1-7(2)5-3-4-6-8-7/h3-6,8H,1-2H3
InChIKeyACWHJXOMELFUQD-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.70
Rot. Bonds

About 2-Methyl picoline

2-Methyl picoline (PubChem CID 18347293) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2,2-dimethyl-1H-pyridine.

Molecular Properties

Compound Name2-Methyl picoline
PubChem CID18347293
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2,2-dimethyl-1H-pyridine
SMILESCC1(C=CC=CN1)C
InChIInChI=1S/C7H11N/c1-7(2)5-3-4-6-8-7/h3-6,8H,1-2H3
InChIKeyACWHJXOMELFUQD-UHFFFAOYSA-N
XLogP1.70
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity131

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Fluoropicoline
CID 69611625
4-Methyl dihydropyridine
CID 407036
Dihydrolutidin
CID 5245820
Dihydropicoline
CID 5246423
2-Chloropicoline
CID 19964169
2-Methyl-2-vinylpyridine
CID 20131521
2-Amino-4-methylpicoline
CID 21505664
2-Aminopicoline
CID 66824522
2-Bromopicoline
CID 68644332
2-Bromo-4-methylpicoline
CID 86637772
Picolino-nitrile
CID 129698266
4,6-Dimethyl-1,4-dihydropyridine
CID 129763262

Frequently Asked Questions

What is the IUPAC name of 2-Methyl picoline?
The IUPAC name of 2-Methyl picoline (CID 18347293) is 2,2-dimethyl-1H-pyridine.
What is the SMILES notation for 2-Methyl picoline?
The canonical SMILES for 2-Methyl picoline is CC1(C=CC=CN1)C.
What is the InChIKey of 2-Methyl picoline?
The InChIKey is ACWHJXOMELFUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-7(2)5-3-4-6-8-7/h3-6,8H,1-2H3.
What are the key properties of 2-Methyl picoline?
2-Methyl picoline has a molecular weight of 109.17 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methyl picoline is sourced from PubChem (CID 18347293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).