6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde

C7H4F3NO2 — CID 133096368

IUPAC6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)5-1-4(3-12)2-11-6(5)13/h1-3H,(H,11,13)
InChIKeyKZQWRFDJRGQACX-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.21
Rot. Bonds1

About 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde

6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (PubChem CID 133096368) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
PubChem CID133096368
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)5-1-4(3-12)2-11-6(5)13/h1-3H,(H,11,13)
InChIKeyKZQWRFDJRGQACX-UHFFFAOYSA-N
XLogP1.21
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Hydroxynicotinaldehyde
CID 10866326
3,5-Bis(trifluoromethyl)pyridin-2-ol
CID 14148750
5-Methyl-2-oxo-1,2-dihydropyridine-3-carbaldehyde
CID 70701043
6-Hydroxy-5-methylpyridine-3-carbaldehyde
CID 75176250
5-Fluoro-6-hydroxypyridine-3-carbaldehyde
CID 90191891
3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 102291873
a-Dihydropyridine-3,5-dicarbaldehyde
CID 88044066
5-Fluoro-2-oxo-1,2-dihydropyridine-4-carbaldehyde
CID 2762974
2-Hydroxy-5-(trifluoromethyl)nicotinaldehyde
CID 19819669
3-Methyl-5-(trifluoromethyl)pyridin-2(1H)-one
CID 23049003
2-Hydroxy-4-(trifluoromethyl)nicotinaldehyde
CID 53924800
6-Oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbaldehyde
CID 53935510

Frequently Asked Questions

What is the IUPAC name of 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (CID 133096368) is 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is O=Cc1c[nH]c(=O)c(C(F)(F)F)c1.
What is the InChIKey of 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The InChIKey is KZQWRFDJRGQACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-4(3-12)2-11-6(5)13/h1-3H,(H,11,13).
What are the key properties of 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde has a molecular weight of 191.11 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 133096368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).