methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate

C10H7F6NO4 — CID 134666003

IUPACmethyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)(F)F)cc(OC(F)(F)F)c1O
InChIInChI=1S/C10H7F6NO4/c1-20-7(18)2-4-8(19)5(21-10(14,15)16)3-6(17-4)9(11,12)13/h3,19H,2H2,1H3
InChIKeyDCPDWHGMEWUMFE-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.42
Rot. Bonds3

About methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate

methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 134666003) has the molecular formula C10H7F6NO4 and a molecular weight of 319.16 g/mol. Its IUPAC name is methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID134666003
Molecular FormulaC10H7F6NO4
Molecular Weight319.16 g/mol
Exact Mass319.03
IUPAC Namemethyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)(F)F)cc(OC(F)(F)F)c1O
InChIInChI=1S/C10H7F6NO4/c1-20-7(18)2-4-8(19)5(21-10(14,15)16)3-6(17-4)9(11,12)13/h3,19H,2H2,1H3
InChIKeyDCPDWHGMEWUMFE-UHFFFAOYSA-N
XLogP2.42
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134662195
[4-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134668178
methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134668453
methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 134674876
methyl 2-[6-(bromomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682476
methyl 2-[2-(chloromethyl)-6-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679997
methyl 2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134663640
methyl 2-[5-methoxy-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134679933
methyl 2-[5-amino-3-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133086099
methyl 2-[6-amino-2-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133086081
methyl 2-[2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085558
methyl 2-[3-(chloromethyl)-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682639

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate (CID 134666003) is methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1nc(C(F)(F)F)cc(OC(F)(F)F)c1O.
What is the InChIKey of methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is DCPDWHGMEWUMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO4/c1-20-7(18)2-4-8(19)5(21-10(14,15)16)3-6(17-4)9(11,12)13/h3,19H,2H2,1H3.
What are the key properties of methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate?
methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 319.16 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134666003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).