4-methylpyridin-1-ium

C6H8N+ — CID 3434378

IUPAC4-methylpyridin-1-ium
SMILESCc1cc[nH+]cc1
InChIInChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3/p+1
InChIKeyFKNQCJSGGFJEIZ-UHFFFAOYSA-O
MW94.14 g/mol
LogP0.81
Rot. Bonds

About 4-methylpyridin-1-ium

4-methylpyridin-1-ium (PubChem CID 3434378) has the molecular formula C6H8N+ and a molecular weight of 94.14 g/mol. Its IUPAC name is 4-methylpyridin-1-ium.

Molecular Properties

Compound Name4-methylpyridin-1-ium
PubChem CID3434378
Molecular FormulaC6H8N+
Molecular Weight94.14 g/mol
Exact Mass94.07
IUPAC Name4-methylpyridin-1-ium
SMILESCc1cc[nH+]cc1
InChIInChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3/p+1
InChIKeyFKNQCJSGGFJEIZ-UHFFFAOYSA-O
XLogP0.81
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.14
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Pyridine
CID 1049
Anabasine
CID 205586
3-Methylpyridine
CID 7970
(+-)-Anabasine
CID 2181
Nornicotine
CID 91462
4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
3-(Pyrrolidin-2-yl)pyridine
CID 412
2-Amino-4-methylpyridine
CID 1533
5-Ethyl-2-methylpyridine
CID 7728
Rivanicline
CID 5310967
2,4-Dimethylpyridine
CID 7936

Frequently Asked Questions

What is the IUPAC name of 4-methylpyridin-1-ium?
The IUPAC name of 4-methylpyridin-1-ium (CID 3434378) is 4-methylpyridin-1-ium.
What is the SMILES notation for 4-methylpyridin-1-ium?
The canonical SMILES for 4-methylpyridin-1-ium is Cc1cc[nH+]cc1.
What is the InChIKey of 4-methylpyridin-1-ium?
The InChIKey is FKNQCJSGGFJEIZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3/p+1.
What are the key properties of 4-methylpyridin-1-ium?
4-methylpyridin-1-ium has a molecular weight of 94.14 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyridin-1-ium is sourced from PubChem (CID 3434378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).