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

C9H9F2NO2 — CID 118834229

IUPAC4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde
SMILESCOc1cnc(C=O)c(C)c1C(F)F
InChIInChI=1S/C9H9F2NO2/c1-5-6(4-13)12-3-7(14-2)8(5)9(10)11/h3-4,9H,1-2H3
InChIKeyDEGAIDDTKGAHRX-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.15
Rot. Bonds3

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

4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde (PubChem CID 118834229) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde
PubChem CID118834229
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde
SMILESCOc1cnc(C=O)c(C)c1C(F)F
InChIInChI=1S/C9H9F2NO2/c1-5-6(4-13)12-3-7(14-2)8(5)9(10)11/h3-4,9H,1-2H3
InChIKeyDEGAIDDTKGAHRX-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

4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118846177
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118806978
3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde
CID 130086216
4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
CID 134660494
2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118847981
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134677184
2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118815612
4-amino-2-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118829242
5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde
CID 130081157
2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine
CID 118992622
6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde
CID 118814889
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
CID 130073927

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde (CID 118834229) is 4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde is COc1cnc(C=O)c(C)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde?
The InChIKey is DEGAIDDTKGAHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-5-6(4-13)12-3-7(14-2)8(5)9(10)11/h3-4,9H,1-2H3.
What are the key properties of 4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde?
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-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 4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 118834229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).