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

C7H5F2NO2 — CID 130097177

IUPAC3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)ccc1C(F)F
InChIInChI=1S/C7H5F2NO2/c8-7(9)4-1-2-6(12)10-5(4)3-11/h1-3,7H,(H,10,12)
InChIKeyOAVRSZRXFDNYIF-UHFFFAOYSA-N
MW173.12 g/mol
LogP1.12
Rot. Bonds2

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

3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 130097177) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID130097177
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)ccc1C(F)F
InChIInChI=1S/C7H5F2NO2/c8-7(9)4-1-2-6(12)10-5(4)3-11/h1-3,7H,(H,10,12)
InChIKeyOAVRSZRXFDNYIF-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

2-Methyl-6-oxo-1,6-dihydropyridine-3-carbaldehyde
CID 86695785
6-Hydroxy-4-(trifluoromethyl)picolinaldehyde
CID 57557587
5-Methyl-6-(trifluoromethyl)pyridin-2-ol
CID 58172802
3-Fluoro-6-oxo-1,6-dihydropyridine-2-carbaldehyde
CID 105428182
6-Hydroxy-5-(trifluoromethyl)picolinaldehyde
CID 105444637
6-Hydroxy-2-(trifluoromethyl)nicotinamide
CID 130953535
6-Methyl-5-(trifluoromethyl)pyridin-2-ol
CID 143625923
2-Hydroxy-6-(trifluoromethyl)isonicotinaldehyde
CID 72212955
2-(Difluoromethyl)-6-hydroxypyridine-3-carboxamide
CID 99991597
6-Hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118704370
4-Amino-3-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118800888
2-(Difluoromethyl)-4-fluoro-6-hydroxypyridine-3-carboxaldehyde
CID 118803557

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde (CID 130097177) is 3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde is O=Cc1[nH]c(=O)ccc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is OAVRSZRXFDNYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-7(9)4-1-2-6(12)10-5(4)3-11/h1-3,7H,(H,10,12).
What are the key properties of 3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
3-(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 3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 130097177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).