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

C9H9F2NO2 — CID 118812855

IUPAC4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
SMILESCOc1cc(C(F)F)c(C)c(C=O)n1
InChIInChI=1S/C9H9F2NO2/c1-5-6(9(10)11)3-8(14-2)12-7(5)4-13/h3-4,9H,1-2H3
InChIKeyLJHQEWFDEYLZNS-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.15
Rot. Bonds3

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

4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde (PubChem CID 118812855) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
PubChem CID118812855
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
SMILESCOc1cc(C(F)F)c(C)c(C=O)n1
InChIInChI=1S/C9H9F2NO2/c1-5-6(9(10)11)3-8(14-2)12-7(5)4-13/h3-4,9H,1-2H3
InChIKeyLJHQEWFDEYLZNS-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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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde (CID 118812855) is 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde is COc1cc(C(F)F)c(C)c(C=O)n1.
What is the InChIKey of 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde?
The InChIKey is LJHQEWFDEYLZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-5-6(9(10)11)3-8(14-2)12-7(5)4-13/h3-4,9H,1-2H3.
What are the key properties of 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde?
4-(difluoromethyl)-6-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)-6-methoxy-3-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 118812855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).