5-fluoro-3,4-dimethyl-3,4-dihydropyridine

C7H10FN — CID 146580434

IUPAC5-fluoro-3,4-dimethyl-3,4-dihydropyridine
SMILESCC1C=NC=C(F)C1C
InChIInChI=1S/C7H10FN/c1-5-3-9-4-7(8)6(5)2/h3-6H,1-2H3
InChIKeyNSIAPDGUVLXGSP-UHFFFAOYSA-N
MW127.16 g/mol
LogP2.15
Rot. Bonds

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

5-fluoro-3,4-dimethyl-3,4-dihydropyridine (PubChem CID 146580434) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 5-fluoro-3,4-dimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-fluoro-3,4-dimethyl-3,4-dihydropyridine
PubChem CID146580434
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name5-fluoro-3,4-dimethyl-3,4-dihydropyridine
SMILESCC1C=NC=C(F)C1C
InChIInChI=1S/C7H10FN/c1-5-3-9-4-7(8)6(5)2/h3-6H,1-2H3
InChIKeyNSIAPDGUVLXGSP-UHFFFAOYSA-N
XLogP2.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-3,4-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,4-dimethyl-3,4-dihydropyridine?
The IUPAC name of 5-fluoro-3,4-dimethyl-3,4-dihydropyridine (CID 146580434) is 5-fluoro-3,4-dimethyl-3,4-dihydropyridine.
What is the SMILES notation for 5-fluoro-3,4-dimethyl-3,4-dihydropyridine?
The canonical SMILES for 5-fluoro-3,4-dimethyl-3,4-dihydropyridine is CC1C=NC=C(F)C1C.
What is the InChIKey of 5-fluoro-3,4-dimethyl-3,4-dihydropyridine?
The InChIKey is NSIAPDGUVLXGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-3-9-4-7(8)6(5)2/h3-6H,1-2H3.
What are the key properties of 5-fluoro-3,4-dimethyl-3,4-dihydropyridine?
5-fluoro-3,4-dimethyl-3,4-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,4-dimethyl-3,4-dihydropyridine is sourced from PubChem (CID 146580434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).