3,4-dimethylpyridine

C7H9N — CID 11417

IUPAC3,4-dimethylpyridine
SMILESCc1ccncc1C
InChIInChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3
InChIKeyNURQLCJSMXZBPC-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.70
Rot. Bonds

About 3,4-dimethylpyridine

3,4-dimethylpyridine (PubChem CID 11417) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 3,4-dimethylpyridine.

Molecular Properties

Compound Name3,4-dimethylpyridine
PubChem CID11417
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name3,4-dimethylpyridine
SMILESCc1ccncc1C
InChIInChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3
InChIKeyNURQLCJSMXZBPC-UHFFFAOYSA-N
XLogP1.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Nicotine
CID 89594
Pyridine
CID 1049
Paraquat dichloride
CID 15938
Ethionamide
CID 2761171
3-Methylpyridine
CID 7970
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
Pheniramine
CID 4761
4-Vinylpyridine
CID 7502
Paraquat
CID 15939
2-Methylpyridine
CID 7975
Myosmine
CID 442649

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpyridine?
The IUPAC name of 3,4-dimethylpyridine (CID 11417) is 3,4-dimethylpyridine.
What is the SMILES notation for 3,4-dimethylpyridine?
The canonical SMILES for 3,4-dimethylpyridine is Cc1ccncc1C.
What is the InChIKey of 3,4-dimethylpyridine?
The InChIKey is NURQLCJSMXZBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3.
What are the key properties of 3,4-dimethylpyridine?
3,4-dimethylpyridine has a molecular weight of 107.16 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpyridine is sourced from PubChem (CID 11417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).