6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde

C8H7F2NO2 — CID 130083899

IUPAC6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde
SMILESCc1nc(C(F)F)cc(C=O)c1O
InChIInChI=1S/C8H7F2NO2/c1-4-7(13)5(3-12)2-6(11-4)8(9)10/h2-3,8,13H,1H3
InChIKeyHEWPVCQDCQLQRB-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.85
Rot. Bonds2

About 6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde

6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde (PubChem CID 130083899) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde
PubChem CID130083899
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde
SMILESCc1nc(C(F)F)cc(C=O)c1O
InChIInChI=1S/C8H7F2NO2/c1-4-7(13)5(3-12)2-6(11-4)8(9)10/h2-3,8,13H,1H3
InChIKeyHEWPVCQDCQLQRB-UHFFFAOYSA-N
XLogP1.85
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde
CID 119009671
5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde
CID 130101411
4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde
CID 130090124
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
CID 119019185
6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde
CID 130088296
6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133104326
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
CID 118810017
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde
CID 130084402
4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 130074517
[6-(difluoromethyl)-2,4-dimethyl-3-pyridinyl]methanol
CID 130101372
2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119020715

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde (CID 130083899) is 6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde is Cc1nc(C(F)F)cc(C=O)c1O.
What is the InChIKey of 6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde?
The InChIKey is HEWPVCQDCQLQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-4-7(13)5(3-12)2-6(11-4)8(9)10/h2-3,8,13H,1H3.
What are the key properties of 6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde?
6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde has a molecular weight of 187.15 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 130083899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).