6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde

C7H4ClF2NO2 — CID 119010301

IUPAC6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1cc(=O)c(C(F)F)c(Cl)[nH]1
InChIInChI=1S/C7H4ClF2NO2/c8-6-5(7(9)10)4(13)1-3(2-12)11-6/h1-2,7H,(H,11,13)
InChIKeyQHPDAQCDFAHDTE-UHFFFAOYSA-N
MW207.56 g/mol
LogP1.78
Rot. Bonds2

About 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde

6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 119010301) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
PubChem CID119010301
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1cc(=O)c(C(F)F)c(Cl)[nH]1
InChIInChI=1S/C7H4ClF2NO2/c8-6-5(7(9)10)4(13)1-3(2-12)11-6/h1-2,7H,(H,11,13)
InChIKeyQHPDAQCDFAHDTE-UHFFFAOYSA-N
XLogP1.78
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.56
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-6-(trifluoromethyl)picolinaldehyde
CID 72214091
2-(Difluoromethyl)-4-hydroxy-3-(trifluoromethyl)pyridine-6-carboxaldehyde
CID 118803840
2-(Chloromethyl)-3-(difluoromethyl)-4-hydroxypyridine-6-carboxaldehyde
CID 118814604
2-(Difluoromethyl)-4-hydroxypyridine-6-carboxaldehyde
CID 118820445
2-(Difluoromethyl)-4-hydroxy-3-methylpyridine-6-carboxaldehyde
CID 118831717
2-(Difluoromethyl)-3-fluoro-4-hydroxypyridine-6-carboxaldehyde
CID 118837246
6-Amino-5-(difluoromethyl)-4-hydroxypicolinaldehyde
CID 118992620
2-Chloro-3-(difluoromethyl)-6-methylpyridin-4-ol
CID 118995429
3-(Difluoromethyl)-6-formyl-4-hydroxypicolinonitrile
CID 119006993
2-Chloro-6-(difluoromethyl)-3-methylpyridin-4-ol
CID 119018249
6-Bromo-5-(difluoromethyl)-4-hydroxypicolinaldehyde
CID 119018323
2-Chloro-6-(difluoromethyl)-4-hydroxynicotinaldehyde
CID 119019210

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde (CID 119010301) is 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde is O=Cc1cc(=O)c(C(F)F)c(Cl)[nH]1.
What is the InChIKey of 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is QHPDAQCDFAHDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-6-5(7(9)10)4(13)1-3(2-12)11-6/h1-2,7H,(H,11,13).
What are the key properties of 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde has a molecular weight of 207.56 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 119010301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).