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

C11H13F2NO3 — CID 133100381

IUPACmethyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(OC)c(C)nc1C(F)F
InChIInChI=1S/C11H13F2NO3/c1-6-8(16-2)4-7(5-9(15)17-3)10(14-6)11(12)13/h4,11H,5H2,1-3H3
InChIKeyAHYMHGGTXDVVJB-UHFFFAOYSA-N
MW245.22 g/mol
LogP2.05
Rot. Bonds4

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

methyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate (PubChem CID 133100381) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is methyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate
PubChem CID133100381
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Namemethyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(OC)c(C)nc1C(F)F
InChIInChI=1S/C11H13F2NO3/c1-6-8(16-2)4-7(5-9(15)17-3)10(14-6)11(12)13/h4,11H,5H2,1-3H3
InChIKeyAHYMHGGTXDVVJB-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-[2-(difluoromethyl)-6-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102034
methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102111
methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681746
methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
CID 133103275
2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-carbonyl chloride
CID 118826600
ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 133085326
methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate
CID 133100382
methyl 2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134663640
methyl 2-[5-amino-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 133088395
methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134683935
methyl 2-[6-chloro-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134672190
methyl 2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681738

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate (CID 133100381) is methyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate is COC(=O)Cc1cc(OC)c(C)nc1C(F)F.
What is the InChIKey of methyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate?
The InChIKey is AHYMHGGTXDVVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-6-8(16-2)4-7(5-9(15)17-3)10(14-6)11(12)13/h4,11H,5H2,1-3H3.
What are the key properties of methyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate?
methyl 2-[2-(difluoromethyl)-5-methoxy-6-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-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate is sourced from PubChem (CID 133100381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).