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

C10H7F6NO3 — CID 134658983

IUPACmethyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(OC(F)(F)F)ncc(F)c1C(F)F
InChIInChI=1S/C10H7F6NO3/c1-19-6(18)2-4-7(8(12)13)5(11)3-17-9(4)20-10(14,15)16/h3,8H,2H2,1H3
InChIKeyXPDRZHSPLMUQOO-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.77
Rot. Bonds4

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

methyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate (PubChem CID 134658983) has the molecular formula C10H7F6NO3 and a molecular weight of 303.16 g/mol. Its IUPAC name is methyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
PubChem CID134658983
Molecular FormulaC10H7F6NO3
Molecular Weight303.16 g/mol
Exact Mass303.03
IUPAC Namemethyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(OC(F)(F)F)ncc(F)c1C(F)F
InChIInChI=1S/C10H7F6NO3/c1-19-6(18)2-4-7(8(12)13)5(11)3-17-9(4)20-10(14,15)16/h3,8H,2H2,1H3
InChIKeyXPDRZHSPLMUQOO-UHFFFAOYSA-N
XLogP2.77
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134682211
methyl 2-[3-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134666514
ethyl 2-[4-(difluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134670024
methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134666504
methyl 2-[3-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 134668053
methyl 2-[5-(chloromethyl)-6-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 134673172
2-[5-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134668988
methyl 2-[2-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664978
methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
CID 134661750
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683805
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537
methyl 2-[3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133100816

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate (CID 134658983) is methyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate is COC(=O)Cc1c(OC(F)(F)F)ncc(F)c1C(F)F.
What is the InChIKey of methyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate?
The InChIKey is XPDRZHSPLMUQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO3/c1-19-6(18)2-4-7(8(12)13)5(11)3-17-9(4)20-10(14,15)16/h3,8H,2H2,1H3.
What are the key properties of methyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate?
methyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate has a molecular weight of 303.16 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate is sourced from PubChem (CID 134658983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).