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

C7H4ClF2NO2 — CID 130072658

IUPAC5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(Cl)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H4ClF2NO2/c8-4-1-3(2-12)5(6(9)10)11-7(4)13/h1-2,6H,(H,11,13)
InChIKeyRWTQAUAUBSPSMQ-UHFFFAOYSA-N
MW207.56 g/mol
LogP1.78
Rot. Bonds2

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

5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 130072658) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
PubChem CID130072658
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(Cl)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H4ClF2NO2/c8-4-1-3(2-12)5(6(9)10)11-7(4)13/h1-2,6H,(H,11,13)
InChIKeyRWTQAUAUBSPSMQ-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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde
CID 118832066
6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
CID 118842995
5-(chloromethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130085193
5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 130070948
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 119023480
2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde
CID 118832080
4,5-dichloro-6-(difluoromethyl)-1H-pyridin-2-one
CID 130099225
3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082831
6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde
CID 137203197
5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde
CID 171007894
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072642
5-chloro-2,4-difluorobenzaldehyde
CID 34174561

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde (CID 130072658) is 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde is O=Cc1cc(Cl)c(=O)[nH]c1C(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is RWTQAUAUBSPSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-4-1-3(2-12)5(6(9)10)11-7(4)13/h1-2,6H,(H,11,13).
What are the key properties of 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
5-chloro-2-(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 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 130072658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).