6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde

C8H6F3NO3 — CID 130112200

IUPAC6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
SMILESCc1[nH]c(=O)c(C=O)cc1OC(F)(F)F
InChIInChI=1S/C8H6F3NO3/c1-4-6(15-8(9,10)11)2-5(3-13)7(14)12-4/h2-3H,1H3,(H,12,14)
InChIKeyBAOJSPUFAOQZSW-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.39
Rot. Bonds2

About 6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde

6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde (PubChem CID 130112200) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
PubChem CID130112200
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
SMILESCc1[nH]c(=O)c(C=O)cc1OC(F)(F)F
InChIInChI=1S/C8H6F3NO3/c1-4-6(15-8(9,10)11)2-5(3-13)7(14)12-4/h2-3H,1H3,(H,12,14)
InChIKeyBAOJSPUFAOQZSW-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'}

Analyze 6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134681147
2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130112222
2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde
CID 143688170
6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091442
3-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134666705
5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131214048
5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde
CID 18677608
2-(trifluoromethoxy)terephthalaldehyde
CID 170999220
3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 131168157
3-methyl-4-(trifluoromethoxy)benzaldehyde
CID 88929764
3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111059
5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134658933

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde (CID 130112200) is 6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde is Cc1[nH]c(=O)c(C=O)cc1OC(F)(F)F.
What is the InChIKey of 6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The InChIKey is BAOJSPUFAOQZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c1-4-6(15-8(9,10)11)2-5(3-13)7(14)12-4/h2-3H,1H3,(H,12,14).
What are the key properties of 6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
6-methyl-2-oxo-5-(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 6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 130112200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).