1-fluoro-3-methylpyridin-1-ium

C6H7FN+ — CID 13182880

IUPAC1-fluoro-3-methylpyridin-1-ium
SMILESCc1ccc[n+](F)c1
InChIInChI=1S/C6H7FN/c1-6-3-2-4-8(7)5-6/h2-5H,1H3/q+1
InChIKeyCPWKMHIQHLAXAV-UHFFFAOYSA-N
MW112.13 g/mol
LogP1.02
Rot. Bonds

About 1-fluoro-3-methylpyridin-1-ium

1-fluoro-3-methylpyridin-1-ium (PubChem CID 13182880) has the molecular formula C6H7FN+ and a molecular weight of 112.13 g/mol. Its IUPAC name is 1-fluoro-3-methylpyridin-1-ium.

Molecular Properties

Compound Name1-fluoro-3-methylpyridin-1-ium
PubChem CID13182880
Molecular FormulaC6H7FN+
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name1-fluoro-3-methylpyridin-1-ium
SMILESCc1ccc[n+](F)c1
InChIInChI=1S/C6H7FN/c1-6-3-2-4-8(7)5-6/h2-5H,1H3/q+1
InChIKeyCPWKMHIQHLAXAV-UHFFFAOYSA-N
XLogP1.02
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methylpyridin-1-ium?
The IUPAC name of 1-fluoro-3-methylpyridin-1-ium (CID 13182880) is 1-fluoro-3-methylpyridin-1-ium.
What is the SMILES notation for 1-fluoro-3-methylpyridin-1-ium?
The canonical SMILES for 1-fluoro-3-methylpyridin-1-ium is Cc1ccc[n+](F)c1.
What is the InChIKey of 1-fluoro-3-methylpyridin-1-ium?
The InChIKey is CPWKMHIQHLAXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN/c1-6-3-2-4-8(7)5-6/h2-5H,1H3/q+1.
What are the key properties of 1-fluoro-3-methylpyridin-1-ium?
1-fluoro-3-methylpyridin-1-ium has a molecular weight of 112.13 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylpyridin-1-ium is sourced from PubChem (CID 13182880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).