5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde

C9H9F2NO — CID 130101411

IUPAC5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde
SMILESCc1nc(C)c(C(F)F)cc1C=O
InChIInChI=1S/C9H9F2NO/c1-5-7(4-13)3-8(9(10)11)6(2)12-5/h3-4,9H,1-2H3
InChIKeyDIZPTHWLJDVILI-UHFFFAOYSA-N
MW185.17 g/mol
LogP2.45
Rot. Bonds2

About 5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde

5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde (PubChem CID 130101411) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde
PubChem CID130101411
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde
SMILESCc1nc(C)c(C(F)F)cc1C=O
InChIInChI=1S/C9H9F2NO/c1-5-7(4-13)3-8(9(10)11)6(2)12-5/h3-4,9H,1-2H3
InChIKeyDIZPTHWLJDVILI-UHFFFAOYSA-N
XLogP2.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118825784
2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118844032
5-(difluoromethyl)-2-methylpyridine-4-carbaldehyde
CID 130097731
2-(difluoromethyl)-5-fluoroterephthalaldehyde
CID 171027914
6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde
CID 130083899
2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 119020523
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde
CID 130086218
3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 130069422
2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 119011244
5-(difluoromethyl)-6-methylpyridine-2,3-diamine
CID 119002559
5-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 133099027
5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile
CID 130077549

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde (CID 130101411) is 5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde is Cc1nc(C)c(C(F)F)cc1C=O.
What is the InChIKey of 5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde?
The InChIKey is DIZPTHWLJDVILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-5-7(4-13)3-8(9(10)11)6(2)12-5/h3-4,9H,1-2H3.
What are the key properties of 5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde?
5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde has a molecular weight of 185.17 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde is sourced from PubChem (CID 130101411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).