4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine

C18H21F2NO2 — CID 141203476

IUPAC4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine
SMILESCC1=CC(OCc2ccc(F)cc2F)=CCN1CC1CCCO1
InChIInChI=1S/C18H21F2NO2/c1-13-9-16(6-7-21(13)11-17-3-2-8-22-17)23-12-14-4-5-15(19)10-18(14)20/h4-6,9-10,17H,2-3,7-8,11-12H2,1H3
InChIKeyLEGNKTBQZSUVPE-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.76
Rot. Bonds5

About 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine

4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine (PubChem CID 141203476) has the molecular formula C18H21F2NO2 and a molecular weight of 321.37 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine
PubChem CID141203476
Molecular FormulaC18H21F2NO2
Molecular Weight321.37 g/mol
Exact Mass321.15
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine
SMILESCC1=CC(OCc2ccc(F)cc2F)=CCN1CC1CCCO1
InChIInChI=1S/C18H21F2NO2/c1-13-9-16(6-7-21(13)11-17-3-2-8-22-17)23-12-14-4-5-15(19)10-18(14)20/h4-6,9-10,17H,2-3,7-8,11-12H2,1H3
InChIKeyLEGNKTBQZSUVPE-UHFFFAOYSA-N
XLogP3.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine 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

1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine
CID 827316
1-[2-Bis(4-fluorophenyl)methoxyethyl]-4-methoxymethylidenepiperidine
CID 9999412
4-Tert-butyl-2-(2,5-difluorophenyl)morpholine
CID 19913609
3-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 22050927
4-[(2,4-Difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 22051069
(2S,3S,5R)-2-(3,4-difluorophenyl)-3,4,5-trimethylmorpholine
CID 54315527
(2S,4S)-4-fluoro-1-methyl-2-[[(Z)-4-phenylmethoxybut-2-enoxy]methyl]pyrrolidine
CID 58778459
5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine
CID 67217633
1-[2-[Bis(2-fluorophenyl)methoxy]ethyl]pyrrolidine
CID 67718473
(2R)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-methylpyrrolidine
CID 68391667
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine
CID 69063978
(3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine
CID 71192913

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine (CID 141203476) is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine is CC1=CC(OCc2ccc(F)cc2F)=CCN1CC1CCCO1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine?
The InChIKey is LEGNKTBQZSUVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO2/c1-13-9-16(6-7-21(13)11-17-3-2-8-22-17)23-12-14-4-5-15(19)10-18(14)20/h4-6,9-10,17H,2-3,7-8,11-12H2,1H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine?
4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine has a molecular weight of 321.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)-2H-pyridine is sourced from PubChem (CID 141203476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).