2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde

C9H9F2NO2 — CID 118854298

IUPAC2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde
SMILESCOc1c(C(F)F)ncc(C)c1C=O
InChIInChI=1S/C9H9F2NO2/c1-5-3-12-7(9(10)11)8(14-2)6(5)4-13/h3-4,9H,1-2H3
InChIKeyKNGTVODGQODHEV-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.15
Rot. Bonds3

About 2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde

2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde (PubChem CID 118854298) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde
PubChem CID118854298
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde
SMILESCOc1c(C(F)F)ncc(C)c1C=O
InChIInChI=1S/C9H9F2NO2/c1-5-3-12-7(9(10)11)8(14-2)6(5)4-13/h3-4,9H,1-2H3
InChIKeyKNGTVODGQODHEV-UHFFFAOYSA-N
XLogP2.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde
CID 130069374
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118851864
2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile
CID 130078361
2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine
CID 118814781
ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133100499
2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine
CID 134670213
6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118814688
4-amino-2-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118829242
4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 130088514
3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 130106112
2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile
CID 118800032
ethyl 2-[2-(difluoromethyl)-4-methoxy-5-methyl-3-pyridinyl]acetate
CID 133099799

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde (CID 118854298) is 2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde is COc1c(C(F)F)ncc(C)c1C=O.
What is the InChIKey of 2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde?
The InChIKey is KNGTVODGQODHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-5-3-12-7(9(10)11)8(14-2)6(5)4-13/h3-4,9H,1-2H3.
What are the key properties of 2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde?
2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde has a molecular weight of 201.17 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 118854298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).