6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde

C8H7F2NO2 — CID 118831717

IUPAC6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde
SMILESCc1c(C(F)F)[nH]c(C=O)cc1=O
InChIInChI=1S/C8H7F2NO2/c1-4-6(13)2-5(3-12)11-7(4)8(9)10/h2-3,8H,1H3,(H,11,13)
InChIKeyBYMDPLCKTYOUGS-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.43
Rot. Bonds2

About 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde

6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 118831717) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde
PubChem CID118831717
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde
SMILESCc1c(C(F)F)[nH]c(C=O)cc1=O
InChIInChI=1S/C8H7F2NO2/c1-4-6(13)2-5(3-12)11-7(4)8(9)10/h2-3,8H,1H3,(H,11,13)
InChIKeyBYMDPLCKTYOUGS-UHFFFAOYSA-N
XLogP1.43
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.43
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

4-Hydroxy-6-(trifluoromethyl)picolinaldehyde
CID 72214091
2-(Difluoromethyl)-4-hydroxy-3-(trifluoromethyl)pyridine-6-carboxaldehyde
CID 118803840
2-(Difluoromethyl)-4-hydroxy-6-methylpyridine-3-carboxaldehyde
CID 118809286
2-(Aminomethyl)-3-(difluoromethyl)-4-hydroxypyridine-6-carboxaldehyde
CID 118814293
2-(Chloromethyl)-3-(difluoromethyl)-4-hydroxypyridine-6-carboxaldehyde
CID 118814604
2-(Difluoromethyl)-4-hydroxypyridine-6-carboxaldehyde
CID 118820445
2-(Difluoromethyl)-4-hydroxy-3-iodopyridine-6-carboxaldehyde
CID 118826000
2-(Difluoromethyl)-4-hydroxy-6-(trifluoromethyl)pyridine-3-carboxaldehyde
CID 118826253
2-(Difluoromethyl)-3-fluoro-4-hydroxypyridine-6-carboxaldehyde
CID 118837246
6-Amino-5-(difluoromethyl)-4-hydroxypicolinaldehyde
CID 118992620
3-(Difluoromethyl)-6-formyl-4-hydroxypicolinonitrile
CID 119006993
6-Chloro-5-(difluoromethyl)-4-hydroxypicolinaldehyde
CID 119010301

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde (CID 118831717) is 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde is Cc1c(C(F)F)[nH]c(C=O)cc1=O.
What is the InChIKey of 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is BYMDPLCKTYOUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-4-6(13)2-5(3-12)11-7(4)8(9)10/h2-3,8H,1H3,(H,11,13).
What are the key properties of 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde?
6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde has a molecular weight of 187.15 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 118831717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).