4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde

C7H3ClF3NO2 — CID 177239459

IUPAC4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(Cl)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H3ClF3NO2/c8-4-1-5(7(9,10)11)12-6(14)3(4)2-13/h1-2H,(H,12,14)
InChIKeyZIBDYDAORUDLGG-UHFFFAOYSA-N
MW225.55 g/mol
LogP1.86
Rot. Bonds1

About 4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde

4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (PubChem CID 177239459) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
PubChem CID177239459
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(Cl)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H3ClF3NO2/c8-4-1-5(7(9,10)11)12-6(14)3(4)2-13/h1-2H,(H,12,14)
InChIKeyZIBDYDAORUDLGG-UHFFFAOYSA-N
XLogP1.86
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.55
LogP ≤ 51.86
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

1,2-Dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxaldehyde
CID 118704032
6-[Chloro(difluoro)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 22113414
4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane
CID 177238847
4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde;ethane;methoxyethane
CID 177239458
2-Hydroxy-6-(trifluoromethyl)nicotinoyl chloride
CID 2775118
4-Chloro-5-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118816802
4-Chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-ol
CID 118817192
4-Amino-6-(difluoromethyl)-2-hydroxynicotinaldehyde
CID 118828840
4-Chloro-6-(difluoromethyl)-2-hydroxynicotinamide
CID 118839451
2-(Difluoromethyl)-3-fluoro-6-hydroxypyridine-5-carboxaldehyde
CID 118842995
6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072624
5-chloro-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072636

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (CID 177239459) is 4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is O=Cc1c(Cl)cc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The InChIKey is ZIBDYDAORUDLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-4-1-5(7(9,10)11)12-6(14)3(4)2-13/h1-2H,(H,12,14).
What are the key properties of 4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde has a molecular weight of 225.55 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 177239459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).