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

C7H5F2NO2 — CID 118840637

IUPAC4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1cc(C(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H5F2NO2/c8-7(9)4-1-5(3-11)10-6(12)2-4/h1-3,7H,(H,10,12)
InChIKeyDZQYNMKVBRCKDA-UHFFFAOYSA-N
MW173.12 g/mol
LogP1.12
Rot. Bonds2

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

4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 118840637) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID118840637
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1cc(C(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H5F2NO2/c8-7(9)4-1-5(3-11)10-6(12)2-4/h1-3,7H,(H,10,12)
InChIKeyDZQYNMKVBRCKDA-UHFFFAOYSA-N
XLogP1.12
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 51.12
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
6-Hydroxy-5-(trifluoromethyl)picolinaldehyde
CID 105444637
5-Fluoro-6-hydroxypicolinaldehyde
CID 123319896
2-Hydroxy-6-(trifluoromethyl)isonicotinaldehyde
CID 72212955
4-Fluoro-6-hydroxypicolinaldehyde
CID 72215444
6-Acetyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 72215869
6-Hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118704370
4-(Difluoromethyl)-6-hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118800385
4-Amino-5-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118800770
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 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde (CID 118840637) is 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde is O=Cc1cc(C(F)F)cc(=O)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is DZQYNMKVBRCKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-7(9)4-1-5(3-11)10-6(12)2-4/h1-3,7H,(H,10,12).
What are the key properties of 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde has a molecular weight of 173.12 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 118840637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).