3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine

C13H17F2NO3 — CID 118425712

IUPAC3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine
SMILESCc1ccc(OC(F)F)c(COC2CCCCO2)n1
InChIInChI=1S/C13H17F2NO3/c1-9-5-6-11(19-13(14)15)10(16-9)8-18-12-4-2-3-7-17-12/h5-6,12-13H,2-4,7-8H2,1H3
InChIKeyKKFPDTMTBXJIBW-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.03
Rot. Bonds5

About 3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine

3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine (PubChem CID 118425712) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine
PubChem CID118425712
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine
SMILESCc1ccc(OC(F)F)c(COC2CCCCO2)n1
InChIInChI=1S/C13H17F2NO3/c1-9-5-6-11(19-13(14)15)10(16-9)8-18-12-4-2-3-7-17-12/h5-6,12-13H,2-4,7-8H2,1H3
InChIKeyKKFPDTMTBXJIBW-UHFFFAOYSA-N
XLogP3.03
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158454
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
2-methyl-N-[[6-methyl-3-(oxan-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79156998
[4-(oxan-2-yloxymethyl)phenyl]-di(propan-2-yl)sulfanium
CID 163530015
3-chloro-2-(oxan-2-yloxymethyl)pyridine
CID 168944061
2-[(4-methylphenyl)methoxy]oxolane
CID 11745476
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 66600765
(3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102529916
N-[[6-methyl-3-(oxan-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150975

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine?
The IUPAC name of 3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine (CID 118425712) is 3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine.
What is the SMILES notation for 3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine?
The canonical SMILES for 3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine is Cc1ccc(OC(F)F)c(COC2CCCCO2)n1.
What is the InChIKey of 3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine?
The InChIKey is KKFPDTMTBXJIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-9-5-6-11(19-13(14)15)10(16-9)8-18-12-4-2-3-7-17-12/h5-6,12-13H,2-4,7-8H2,1H3.
What are the key properties of 3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine?
3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine has a molecular weight of 273.28 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine is sourced from PubChem (CID 118425712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).