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

C6H8FN — CID 155454905

IUPAC5-fluoro-4-methyl-3,4-dihydropyridine
SMILESCC1CC=NC=C1F
InChIInChI=1S/C6H8FN/c1-5-2-3-8-4-6(5)7/h3-5H,2H2,1H3
InChIKeyPPSFHSDMGUSBLF-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.91
Rot. Bonds

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

5-fluoro-4-methyl-3,4-dihydropyridine (PubChem CID 155454905) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 5-fluoro-4-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-fluoro-4-methyl-3,4-dihydropyridine
PubChem CID155454905
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name5-fluoro-4-methyl-3,4-dihydropyridine
SMILESCC1CC=NC=C1F
InChIInChI=1S/C6H8FN/c1-5-2-3-8-4-6(5)7/h3-5H,2H2,1H3
InChIKeyPPSFHSDMGUSBLF-UHFFFAOYSA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-3,4-dihydropyridine?
The IUPAC name of 5-fluoro-4-methyl-3,4-dihydropyridine (CID 155454905) is 5-fluoro-4-methyl-3,4-dihydropyridine.
What is the SMILES notation for 5-fluoro-4-methyl-3,4-dihydropyridine?
The canonical SMILES for 5-fluoro-4-methyl-3,4-dihydropyridine is CC1CC=NC=C1F.
What is the InChIKey of 5-fluoro-4-methyl-3,4-dihydropyridine?
The InChIKey is PPSFHSDMGUSBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-5-2-3-8-4-6(5)7/h3-5H,2H2,1H3.
What are the key properties of 5-fluoro-4-methyl-3,4-dihydropyridine?
5-fluoro-4-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-4-methyl-3,4-dihydropyridine is sourced from PubChem (CID 155454905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).