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

C7H4ClF2NO2 — CID 130072635

IUPAC3-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(=O)[nH]c(C(F)F)c1Cl
InChIInChI=1S/C7H4ClF2NO2/c8-5-3(2-12)1-4(13)11-6(5)7(9)10/h1-2,7H,(H,11,13)
InChIKeyITNYTIXGDPSSRX-UHFFFAOYSA-N
MW207.56 g/mol
LogP1.78
Rot. Bonds2

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

3-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde (PubChem CID 130072635) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 3-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde
PubChem CID130072635
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name3-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(=O)[nH]c(C(F)F)c1Cl
InChIInChI=1S/C7H4ClF2NO2/c8-5-3(2-12)1-4(13)11-6(5)7(9)10/h1-2,7H,(H,11,13)
InChIKeyITNYTIXGDPSSRX-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

6-Hydroxy-4-(trifluoromethyl)picolinaldehyde
CID 57557587
2-Hydroxy-6-(trifluoromethyl)isonicotinaldehyde
CID 72212955
6-Hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118704370
4-(Difluoromethyl)-6-hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118800385
2-(Difluoromethyl)-4-fluoro-6-hydroxypyridine-3-carboxaldehyde
CID 118803557
2-(Difluoromethyl)-6-hydroxy-5-methylpyridine-3-carboxaldehyde
CID 118803844
2-(Difluoromethyl)-6-hydroxy-5-(trifluoromethyl)pyridine-3-carboxaldehyde
CID 118803864
2-(Chloromethyl)-4-(difluoromethyl)-6-hydroxypyridine-3-carboxaldehyde
CID 118804349
2-(Chloromethyl)-3-(difluoromethyl)-6-hydroxypyridine-4-carboxaldehyde
CID 118810208
4-(Difluoromethyl)-6-hydroxy-2-methylnicotinaldehyde
CID 118812647
2-(Difluoromethyl)-3-fluoro-6-hydroxypyridine-4-carboxaldehyde
CID 118814980
2-(Chloromethyl)-3-(difluoromethyl)-6-hydroxypyridine-5-carboxaldehyde
CID 118815743

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde?
The IUPAC name of 3-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde (CID 130072635) is 3-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 3-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde is O=Cc1cc(=O)[nH]c(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde?
The InChIKey is ITNYTIXGDPSSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-5-3(2-12)1-4(13)11-6(5)7(9)10/h1-2,7H,(H,11,13).
What are the key properties of 3-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde?
3-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-4-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 3-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 130072635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).