methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde

C10H12F3NO2 — CID 142549771

IUPACmethoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCOC.Cc1ncc(C=O)cc1C(F)(F)F
InChIInChI=1S/C8H6F3NO.C2H6O/c1-5-7(8(9,10)11)2-6(4-13)3-12-5;1-3-2/h2-4H,1H3;1-2H3
InChIKeyWFKJDVMSQQILHL-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.48
Rot. Bonds1

About methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde

methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 142549771) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Namemethoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID142549771
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Namemethoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCOC.Cc1ncc(C=O)cc1C(F)(F)F
InChIInChI=1S/C8H6F3NO.C2H6O/c1-5-7(8(9,10)11)2-6(4-13)3-12-5;1-3-2/h2-4H,1H3;1-2H3
InChIKeyWFKJDVMSQQILHL-UHFFFAOYSA-N
XLogP2.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.48
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 methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde (CID 142549771) is methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde is COC.Cc1ncc(C=O)cc1C(F)(F)F.
What is the InChIKey of methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is WFKJDVMSQQILHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO.C2H6O/c1-5-7(8(9,10)11)2-6(4-13)3-12-5;1-3-2/h2-4H,1H3;1-2H3.
What are the key properties of methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde?
methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 235.20 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 142549771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).