methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate

C9H8F3NO5 — CID 134666527

IUPACmethyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(OC(F)(F)F)[nH]cc(OC)c1=O
InChIInChI=1S/C9H8F3NO5/c1-16-4-3-13-7(18-9(10,11)12)5(6(4)14)8(15)17-2/h3H,1-2H3,(H,13,14)
InChIKeyMBKZSPUXEZDYSM-UHFFFAOYSA-N
MW267.16 g/mol
LogP1.07
Rot. Bonds3

About methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate

methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate (PubChem CID 134666527) has the molecular formula C9H8F3NO5 and a molecular weight of 267.16 g/mol. Its IUPAC name is methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate
PubChem CID134666527
Molecular FormulaC9H8F3NO5
Molecular Weight267.16 g/mol
Exact Mass267.04
IUPAC Namemethyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(OC(F)(F)F)[nH]cc(OC)c1=O
InChIInChI=1S/C9H8F3NO5/c1-16-4-3-13-7(18-9(10,11)12)5(6(4)14)8(15)17-2/h3H,1-2H3,(H,13,14)
InChIKeyMBKZSPUXEZDYSM-UHFFFAOYSA-N
XLogP1.07
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(chloromethyl)-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134660680
3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 118816283
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 134666680
methyl 4-(chloromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134667066
methyl 3-(chloromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carboxylate
CID 134662273
methyl 2-[5-iodo-4-oxo-6-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134659695
methyl 6-oxo-2-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134666243
3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 134658857
methyl 6-(fluoromethyl)-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134660816
methyl 4-(chloromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134666654
methyl 6-oxo-4-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134664543
6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride
CID 134666645

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate (CID 134666527) is methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate is COC(=O)c1c(OC(F)(F)F)[nH]cc(OC)c1=O.
What is the InChIKey of methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate?
The InChIKey is MBKZSPUXEZDYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO5/c1-16-4-3-13-7(18-9(10,11)12)5(6(4)14)8(15)17-2/h3H,1-2H3,(H,13,14).
What are the key properties of methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate?
methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate has a molecular weight of 267.16 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate is sourced from PubChem (CID 134666527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).