1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde

C8H6F3NO2 — CID 87766843

IUPAC1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCn1c(C(F)(F)F)ccc(C=O)c1=O
InChIInChI=1S/C8H6F3NO2/c1-12-6(8(9,10)11)3-2-5(4-13)7(12)14/h2-4H,1H3
InChIKeyCCZOBWOTAWUKBP-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.22
Rot. Bonds1

About 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde

1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 87766843) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID87766843
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCn1c(C(F)(F)F)ccc(C=O)c1=O
InChIInChI=1S/C8H6F3NO2/c1-12-6(8(9,10)11)3-2-5(4-13)7(12)14/h2-4H,1H3
InChIKeyCCZOBWOTAWUKBP-UHFFFAOYSA-N
XLogP1.22
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 87766843) is 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde is Cn1c(C(F)(F)F)ccc(C=O)c1=O.
What is the InChIKey of 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is CCZOBWOTAWUKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c1-12-6(8(9,10)11)3-2-5(4-13)7(12)14/h2-4H,1H3.
What are the key properties of 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde?
1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 205.13 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 87766843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).