2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde

C7H4ClF2NO2 — CID 119023480

IUPAC2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(=O)[nH]c1Cl
InChIInChI=1S/C7H4ClF2NO2/c8-5-3(2-12)1-4(6(9)10)7(13)11-5/h1-2,6H,(H,11,13)
InChIKeyZFNBDOROFDEZAS-UHFFFAOYSA-N
MW207.56 g/mol
LogP1.78
Rot. Bonds2

About 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde

2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 119023480) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
PubChem CID119023480
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(=O)[nH]c1Cl
InChIInChI=1S/C7H4ClF2NO2/c8-5-3(2-12)1-4(6(9)10)7(13)11-5/h1-2,6H,(H,11,13)
InChIKeyZFNBDOROFDEZAS-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

2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 118998534
6-(bromomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084830
5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130072658
2-(difluoromethyl)-5-fluoroterephthalaldehyde
CID 171027914
5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde
CID 171007894
2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde
CID 118832066
6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 118996890
5-chloro-1H-pyrrole-2,4-dicarbaldehyde
CID 14686211
6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
CID 118842995
3-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide
CID 130072951
2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde
CID 98012839
5-(chloromethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130085193

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde (CID 119023480) is 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde is O=Cc1cc(C(F)F)c(=O)[nH]c1Cl.
What is the InChIKey of 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is ZFNBDOROFDEZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-5-3(2-12)1-4(6(9)10)7(13)11-5/h1-2,6H,(H,11,13).
What are the key properties of 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-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 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 119023480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).