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

C8H6F3NO3 — CID 130112222

IUPAC2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
SMILESCc1[nH]c(OC(F)(F)F)cc(=O)c1C=O
InChIInChI=1S/C8H6F3NO3/c1-4-5(3-13)6(14)2-7(12-4)15-8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyADAKJOFSYOCDHQ-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.39
Rot. Bonds2

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

2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde (PubChem CID 130112222) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
PubChem CID130112222
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
SMILESCc1[nH]c(OC(F)(F)F)cc(=O)c1C=O
InChIInChI=1S/C8H6F3NO3/c1-4-5(3-13)6(14)2-7(12-4)15-8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyADAKJOFSYOCDHQ-UHFFFAOYSA-N
XLogP1.39
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130112200
3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 131168157
6-nitro-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 118833096
4-methyl-2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
CID 134679128
3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111059
4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 134663845
methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134665717
ethyl 3-nitro-4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carboxylate
CID 134660258
ethyl 2-[2-(aminomethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134678407
2-(chloromethyl)-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 118809858
3-(difluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 134666248
3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 134677601

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The IUPAC name of 2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde (CID 130112222) is 2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde is Cc1[nH]c(OC(F)(F)F)cc(=O)c1C=O.
What is the InChIKey of 2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The InChIKey is ADAKJOFSYOCDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c1-4-5(3-13)6(14)2-7(12-4)15-8(9,10)11/h2-3H,1H3,(H,12,14).
What are the key properties of 2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde has a molecular weight of 221.13 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 130112222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).