4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde

C8H6F3NO4 — CID 134663845

IUPAC4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
SMILESCOc1cc(=O)[nH]c(OC(F)(F)F)c1C=O
InChIInChI=1S/C8H6F3NO4/c1-15-5-2-6(14)12-7(4(5)3-13)16-8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyRYVSGVZILACGEW-UHFFFAOYSA-N
MW237.13 g/mol
LogP1.09
Rot. Bonds3

About 4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde

4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde (PubChem CID 134663845) has the molecular formula C8H6F3NO4 and a molecular weight of 237.13 g/mol. Its IUPAC name is 4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
PubChem CID134663845
Molecular FormulaC8H6F3NO4
Molecular Weight237.13 g/mol
Exact Mass237.02
IUPAC Name4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
SMILESCOc1cc(=O)[nH]c(OC(F)(F)F)c1C=O
InChIInChI=1S/C8H6F3NO4/c1-15-5-2-6(14)12-7(4(5)3-13)16-8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyRYVSGVZILACGEW-UHFFFAOYSA-N
XLogP1.09
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111016
2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131311062
2-(chloromethyl)-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 118809858
6-nitro-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 118833096
2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118848960
6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118848207
5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134665025
4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111919
2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130112222
methyl 6-oxo-2-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134666243
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134658933

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde (CID 134663845) is 4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde is COc1cc(=O)[nH]c(OC(F)(F)F)c1C=O.
What is the InChIKey of 4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The InChIKey is RYVSGVZILACGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO4/c1-15-5-2-6(14)12-7(4(5)3-13)16-8(9,10)11/h2-3H,1H3,(H,12,14).
What are the key properties of 4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde has a molecular weight of 237.13 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 134663845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).