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

C10H7F6NO3 — CID 134666504

IUPACmethyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(F)c(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C10H7F6NO3/c1-19-6(18)3-4-2-5(11)9(20-10(14,15)16)17-7(4)8(12)13/h2,8H,3H2,1H3
InChIKeyXOMCQQRQTMOOFG-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.77
Rot. Bonds4

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

methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate (PubChem CID 134666504) has the molecular formula C10H7F6NO3 and a molecular weight of 303.16 g/mol. Its IUPAC name is methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
PubChem CID134666504
Molecular FormulaC10H7F6NO3
Molecular Weight303.16 g/mol
Exact Mass303.03
IUPAC Namemethyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(F)c(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C10H7F6NO3/c1-19-6(18)3-4-2-5(11)9(20-10(14,15)16)17-7(4)8(12)13/h2,8H,3H2,1H3
InChIKeyXOMCQQRQTMOOFG-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-[5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134671507
methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681746
methyl 2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681738
methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104357
methyl 2-[6-(bromomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104140
methyl 2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134663640
methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 133099114
methyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134658983
methyl 5-(bromomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663610
methyl 5-(chloromethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663471
methyl 2-[6-chloro-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134672190
methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133104001

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate (CID 134666504) is methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate is COC(=O)Cc1cc(F)c(OC(F)(F)F)nc1C(F)F.
What is the InChIKey of methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate?
The InChIKey is XOMCQQRQTMOOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO3/c1-19-6(18)3-4-2-5(11)9(20-10(14,15)16)17-7(4)8(12)13/h2,8H,3H2,1H3.
What are the key properties of methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate?
methyl 2-[2-(difluoromethyl)-5-fluoro-6-(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-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate is sourced from PubChem (CID 134666504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).