methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate

C10H10F3NO2 — CID 133105429

IUPACmethyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(C(F)F)c(F)c1C
InChIInChI=1S/C10H10F3NO2/c1-5-7(3-8(15)16-2)14-4-6(9(5)11)10(12)13/h4,10H,3H2,1-2H3
InChIKeyCCMKJWMDHWRXOD-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.18
Rot. Bonds3

About methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate

methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate (PubChem CID 133105429) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate
PubChem CID133105429
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Namemethyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(C(F)F)c(F)c1C
InChIInChI=1S/C10H10F3NO2/c1-5-7(3-8(15)16-2)14-4-6(9(5)11)10(12)13/h4,10H,3H2,1-2H3
InChIKeyCCMKJWMDHWRXOD-UHFFFAOYSA-N
XLogP2.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[5-(difluoromethyl)-3-fluoro-4-methoxy-2-pyridinyl]acetate
CID 133105735
methyl 2-[5-(difluoromethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029227
methyl 2-[3-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 133084308
methyl 2-[6-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134675998
ethyl 2-[3-amino-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134671268
methyl 2-[3-(difluoromethyl)-4-fluoro-5-methoxy-2-pyridinyl]acetate
CID 133105586
methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134669289
methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
CID 171029463
methyl 2-[3-cyano-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 133107695
methyl 2-[5-(difluoromethyl)-4-iodo-3-nitro-2-pyridinyl]acetate
CID 133101664
methyl 2-[4-chloro-5-(difluoromethyl)-3-nitro-2-pyridinyl]acetate
CID 134670971
methyl 2-[2-(aminomethyl)-3-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134663917

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate (CID 133105429) is methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate is COC(=O)Cc1ncc(C(F)F)c(F)c1C.
What is the InChIKey of methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate?
The InChIKey is CCMKJWMDHWRXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-5-7(3-8(15)16-2)14-4-6(9(5)11)10(12)13/h4,10H,3H2,1-2H3.
What are the key properties of methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate?
methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate has a molecular weight of 233.19 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate is sourced from PubChem (CID 133105429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).