methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate

C11H13F2NO3 — CID 133100382

IUPACmethyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C)c(C(F)F)nc1OC
InChIInChI=1S/C11H13F2NO3/c1-6-4-7(5-8(15)16-2)11(17-3)14-9(6)10(12)13/h4,10H,5H2,1-3H3
InChIKeyUVNUADJUFXFFSS-UHFFFAOYSA-N
MW245.22 g/mol
LogP2.05
Rot. Bonds4

About methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate

methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate (PubChem CID 133100382) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate
PubChem CID133100382
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Namemethyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C)c(C(F)F)nc1OC
InChIInChI=1S/C11H13F2NO3/c1-6-4-7(5-8(15)16-2)11(17-3)14-9(6)10(12)13/h4,10H,5H2,1-3H3
InChIKeyUVNUADJUFXFFSS-UHFFFAOYSA-N
XLogP2.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 133099114
methyl 2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681738
methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134684791
2-(difluoromethyl)-6-methoxy-3,5-dimethylpyridine
CID 130101210
methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681746
methyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate
CID 133100381
2-(difluoromethyl)-5,6-dimethoxy-3-methylpyridine
CID 130100894
2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 133099889
methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
CID 133103275
methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134666504
methyl 2-[5-(difluoromethyl)-2-iodo-6-methyl-3-pyridinyl]acetate
CID 133101939
methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102111

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate (CID 133100382) is methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate is COC(=O)Cc1cc(C)c(C(F)F)nc1OC.
What is the InChIKey of methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate?
The InChIKey is UVNUADJUFXFFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-6-4-7(5-8(15)16-2)11(17-3)14-9(6)10(12)13/h4,10H,5H2,1-3H3.
What are the key properties of methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate?
methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate has a molecular weight of 245.22 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate is sourced from PubChem (CID 133100382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).