2-(fluoromethyl)-6-methyl-1,2-dihydropyridine

C7H10FN — CID 70459541

IUPAC2-(fluoromethyl)-6-methyl-1,2-dihydropyridine
SMILESCC1=CC=CC(CF)N1
InChIInChI=1S/C7H10FN/c1-6-3-2-4-7(5-8)9-6/h2-4,7,9H,5H2,1H3
InChIKeyRLPSCOKOTLRHSU-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.39
Rot. Bonds1

About 2-(fluoromethyl)-6-methyl-1,2-dihydropyridine

2-(fluoromethyl)-6-methyl-1,2-dihydropyridine (PubChem CID 70459541) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 2-(fluoromethyl)-6-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(fluoromethyl)-6-methyl-1,2-dihydropyridine
PubChem CID70459541
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name2-(fluoromethyl)-6-methyl-1,2-dihydropyridine
SMILESCC1=CC=CC(CF)N1
InChIInChI=1S/C7H10FN/c1-6-3-2-4-7(5-8)9-6/h2-4,7,9H,5H2,1H3
InChIKeyRLPSCOKOTLRHSU-UHFFFAOYSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(fluoromethyl)-6-methyl-1,2-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 2-(fluoromethyl)-6-methyl-1,2-dihydropyridine?
The IUPAC name of 2-(fluoromethyl)-6-methyl-1,2-dihydropyridine (CID 70459541) is 2-(fluoromethyl)-6-methyl-1,2-dihydropyridine.
What is the SMILES notation for 2-(fluoromethyl)-6-methyl-1,2-dihydropyridine?
The canonical SMILES for 2-(fluoromethyl)-6-methyl-1,2-dihydropyridine is CC1=CC=CC(CF)N1.
What is the InChIKey of 2-(fluoromethyl)-6-methyl-1,2-dihydropyridine?
The InChIKey is RLPSCOKOTLRHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-6-3-2-4-7(5-8)9-6/h2-4,7,9H,5H2,1H3.
What are the key properties of 2-(fluoromethyl)-6-methyl-1,2-dihydropyridine?
2-(fluoromethyl)-6-methyl-1,2-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-6-methyl-1,2-dihydropyridine is sourced from PubChem (CID 70459541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).