5-fluoro-3-methyl-3,4-dihydropyridine

Name: 5-fluoro-3-methyl-3,4-dihydropyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₆H₈FN — CID 123967163

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-fluoro-3-methyl-3,4-dihydropyridine

SMILESCC1C=NC=C(F)C1

InChIInChI=1S/C6H8FN/c1-5-2-6(7)4-8-3-5/h3-5H,2H2,1H3

InChIKeyZGISJCYQRZURRH-UHFFFAOYSA-N

MW113.13 g/mol

LogP1.91

Rot. Bonds

About 5-fluoro-3-methyl-3,4-dihydropyridine

5-fluoro-3-methyl-3,4-dihydropyridine (PubChem CID 123967163) has the molecular formula C₆H₈FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 5-fluoro-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name	5-fluoro-3-methyl-3,4-dihydropyridine
PubChem CID	123967163
Molecular Formula	C₆H₈FN
Molecular Weight	113.13 g/mol
Exact Mass	113.06
IUPAC Name	5-fluoro-3-methyl-3,4-dihydropyridine
SMILES	CC1C=NC=C(F)C1
InChI	InChI=1S/C6H8FN/c1-5-2-6(7)4-8-3-5/h3-5H,2H2,1H3
InChIKey	ZGISJCYQRZURRH-UHFFFAOYSA-N
XLogP	1.91
TPSA	12.36 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds
Heavy Atoms	8
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	113.13
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-3,4-dihydropyridine?

The IUPAC name of 5-fluoro-3-methyl-3,4-dihydropyridine (CID 123967163) is 5-fluoro-3-methyl-3,4-dihydropyridine.

What is the SMILES notation for 5-fluoro-3-methyl-3,4-dihydropyridine?

The canonical SMILES for 5-fluoro-3-methyl-3,4-dihydropyridine is CC1C=NC=C(F)C1.

What is the InChIKey of 5-fluoro-3-methyl-3,4-dihydropyridine?

The InChIKey is ZGISJCYQRZURRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-5-2-6(7)4-8-3-5/h3-5H,2H2,1H3.

What are the key properties of 5-fluoro-3-methyl-3,4-dihydropyridine?

5-fluoro-3-methyl-3,4-dihydropyridine has a molecular weight of 113.13 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 123967163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 123967163 — identifiers, structure, computed properties (public domain)

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