5-fluoro-2-methyl-3,4-dihydropyridine

C6H8FN — CID 143745504

IUPAC5-fluoro-2-methyl-3,4-dihydropyridine
SMILESCC1=NC=C(F)CC1
InChIInChI=1S/C6H8FN/c1-5-2-3-6(7)4-8-5/h4H,2-3H2,1H3
InChIKeyRFHVFYBDPVKIPB-UHFFFAOYSA-N
MW113.13 g/mol
LogP2.05
Rot. Bonds

About 5-fluoro-2-methyl-3,4-dihydropyridine

5-fluoro-2-methyl-3,4-dihydropyridine (PubChem CID 143745504) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 5-fluoro-2-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-fluoro-2-methyl-3,4-dihydropyridine
PubChem CID143745504
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name5-fluoro-2-methyl-3,4-dihydropyridine
SMILESCC1=NC=C(F)CC1
InChIInChI=1S/C6H8FN/c1-5-2-3-6(7)4-8-5/h4H,2-3H2,1H3
InChIKeyRFHVFYBDPVKIPB-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-2-methyl-3,4-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 68046822
3-Fluoro-2-methyl-3,4-dihydropyridine
CID 89117465
2-Methyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 142966293
2-Fluoro-5-methyl-3,4-dihydropyridine
CID 143657713
Ethane;2-(trifluoromethyl)-3,4-dihydropyridine
CID 144625238
5-Fluoro-2-propan-2-yl-3,4-dihydropyridine
CID 145484234
2-ethyl-4-fluoro-3H-pyrrole
CID 146392883
(3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine
CID 155135101
5-Ethyl-2-fluoro-3,4-dihydropyridine
CID 155485405
2-(Difluoromethyl)-5-methyl-3,4-dihydropyridine
CID 156046916
2-Ethyl-5-fluoro-4-methyl-3,4-dihydropyridine
CID 156207077
2-(Fluoromethyl)-3,4-dihydropyridine
CID 166907541

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-3,4-dihydropyridine?
The IUPAC name of 5-fluoro-2-methyl-3,4-dihydropyridine (CID 143745504) is 5-fluoro-2-methyl-3,4-dihydropyridine.
What is the SMILES notation for 5-fluoro-2-methyl-3,4-dihydropyridine?
The canonical SMILES for 5-fluoro-2-methyl-3,4-dihydropyridine is CC1=NC=C(F)CC1.
What is the InChIKey of 5-fluoro-2-methyl-3,4-dihydropyridine?
The InChIKey is RFHVFYBDPVKIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-5-2-3-6(7)4-8-5/h4H,2-3H2,1H3.
What are the key properties of 5-fluoro-2-methyl-3,4-dihydropyridine?
5-fluoro-2-methyl-3,4-dihydropyridine has a molecular weight of 113.13 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-3,4-dihydropyridine is sourced from PubChem (CID 143745504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).