2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine

C13H18F2N2O — CID 171994399

IUPAC2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CN2CC(C(F)F)C2)c1C
InChIInChI=1S/C13H18F2N2O/c1-8-4-16-11(9(2)12(8)18-3)7-17-5-10(6-17)13(14)15/h4,10,13H,5-7H2,1-3H3
InChIKeyWDMPCGBSQAAROX-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.40
Rot. Bonds4

About 2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine

2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine (PubChem CID 171994399) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
PubChem CID171994399
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CN2CC(C(F)F)C2)c1C
InChIInChI=1S/C13H18F2N2O/c1-8-4-16-11(9(2)12(8)18-3)7-17-5-10(6-17)13(14)15/h4,10,13H,5-7H2,1-3H3
InChIKeyWDMPCGBSQAAROX-UHFFFAOYSA-N
XLogP2.40
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 103655825
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119917723
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 63032394
2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 56781851
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228
2-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 80691461
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502552
1-(2-chloroethyl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine
CID 63387078
(2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98768813
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62025945
1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
CID 103457017

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine (CID 171994399) is 2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine is COc1c(C)cnc(CN2CC(C(F)F)C2)c1C.
What is the InChIKey of 2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
The InChIKey is WDMPCGBSQAAROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8-4-16-11(9(2)12(8)18-3)7-17-5-10(6-17)13(14)15/h4,10,13H,5-7H2,1-3H3.
What are the key properties of 2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine has a molecular weight of 256.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 171994399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).