methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate

C10H11F2NO2 — CID 171029463

IUPACmethyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(C)cc1C(F)F
InChIInChI=1S/C10H11F2NO2/c1-6-3-8(10(11)12)7(5-13-6)4-9(14)15-2/h3,5,10H,4H2,1-2H3
InChIKeyQKBOTWAHAZCVHW-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.04
Rot. Bonds3

About methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate

methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate (PubChem CID 171029463) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
PubChem CID171029463
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(C)cc1C(F)F
InChIInChI=1S/C10H11F2NO2/c1-6-3-8(10(11)12)7(5-13-6)4-9(14)15-2/h3,5,10H,4H2,1-2H3
InChIKeyQKBOTWAHAZCVHW-UHFFFAOYSA-N
XLogP2.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088361
methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 130098456
methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate
CID 133105429
methyl 2-[3-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134675923
methyl 2-[5-(difluoromethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029227
2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 118800669
methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134673471
methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134668410
methyl 2-[5-(difluoromethyl)-2-iodo-6-methyl-3-pyridinyl]acetate
CID 133101939
methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133088360
methyl 2-[5-(difluoromethyl)-2,3-diiodo-4-pyridinyl]acetate
CID 134668582
methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
CID 134661750

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate (CID 171029463) is methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate is COC(=O)Cc1cnc(C)cc1C(F)F.
What is the InChIKey of methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate?
The InChIKey is QKBOTWAHAZCVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-6-3-8(10(11)12)7(5-13-6)4-9(14)15-2/h3,5,10H,4H2,1-2H3.
What are the key properties of methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate?
methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate has a molecular weight of 215.20 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate is sourced from PubChem (CID 171029463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).