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

C7H4F3NO2 — CID 118814980

IUPAC2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(=O)[nH]c(C(F)F)c1F
InChIInChI=1S/C7H4F3NO2/c8-5-3(2-12)1-4(13)11-6(5)7(9)10/h1-2,7H,(H,11,13)
InChIKeyBZQSBTCIKSGRBC-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.26
Rot. Bonds2

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

2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carbaldehyde (PubChem CID 118814980) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carbaldehyde
PubChem CID118814980
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(=O)[nH]c(C(F)F)c1F
InChIInChI=1S/C7H4F3NO2/c8-5-3(2-12)1-4(13)11-6(5)7(9)10/h1-2,7H,(H,11,13)
InChIKeyBZQSBTCIKSGRBC-UHFFFAOYSA-N
XLogP1.26
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.26
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-Methyl-6-oxo-1,6-dihydropyridine-3-carbaldehyde
CID 86695785
1,2-Dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxaldehyde
CID 118704032
6-Hydroxy-4-(trifluoromethyl)picolinaldehyde
CID 57557587
6-Hydroxy-5-(trifluoromethyl)picolinaldehyde
CID 105444637
6-Hydroxy-2-(trifluoromethyl)nicotinamide
CID 130953535
2-Hydroxy-6-(trifluoromethyl)isonicotinaldehyde
CID 72212955
2-(Difluoromethyl)-6-hydroxypyridine-3-carboxamide
CID 99991597
6-Hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118704370
4-(Difluoromethyl)-6-hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118800385
4-Amino-3-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118800888
2-(Difluoromethyl)-4-fluoro-6-hydroxypyridine-3-carboxaldehyde
CID 118803557
2-(Difluoromethyl)-6-hydroxy-5-methylpyridine-3-carboxaldehyde
CID 118803844

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carbaldehyde (CID 118814980) is 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carbaldehyde is O=Cc1cc(=O)[nH]c(C(F)F)c1F.
What is the InChIKey of 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carbaldehyde?
The InChIKey is BZQSBTCIKSGRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/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 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carbaldehyde?
2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carbaldehyde has a molecular weight of 191.11 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 118814980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).