4-methylpyridine

C6H7N — CID 7963

IUPAC4-methylpyridine
SMILESCc1ccncc1
InChIInChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3
InChIKeyFKNQCJSGGFJEIZ-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.39
Rot. Bonds

About 4-methylpyridine

4-methylpyridine (PubChem CID 7963) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is 4-methylpyridine.

Molecular Properties

Compound Name4-methylpyridine
PubChem CID7963
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name4-methylpyridine
SMILESCc1ccncc1
InChIInChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3
InChIKeyFKNQCJSGGFJEIZ-UHFFFAOYSA-N
XLogP1.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Nicotine
CID 89594
Pyridine
CID 1049
4-Aminopyridine
CID 1727
Paraquat dichloride
CID 15938
Ethionamide
CID 2761171
3-Methylpyridine
CID 7970
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Vinylpyridine
CID 7502
Paraquat
CID 15939
2-Methylpyridine
CID 7975
Myosmine
CID 442649
2-Vinylpyridine
CID 7521

Frequently Asked Questions

What is the IUPAC name of 4-methylpyridine?
The IUPAC name of 4-methylpyridine (CID 7963) is 4-methylpyridine.
What is the SMILES notation for 4-methylpyridine?
The canonical SMILES for 4-methylpyridine is Cc1ccncc1.
What is the InChIKey of 4-methylpyridine?
The InChIKey is FKNQCJSGGFJEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3.
What are the key properties of 4-methylpyridine?
4-methylpyridine has a molecular weight of 93.13 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyridine is sourced from PubChem (CID 7963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).