2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde

C9H8F3NO3 — CID 134670145

IUPAC2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCOc1nc(OC(F)(F)F)c(C)cc1C=O
InChIInChI=1S/C9H8F3NO3/c1-5-3-6(4-14)8(15-2)13-7(5)16-9(10,11)12/h3-4H,1-2H3
InChIKeyWLJFCRGZFWYQEA-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.11
Rot. Bonds3

About 2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde

2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 134670145) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID134670145
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCOc1nc(OC(F)(F)F)c(C)cc1C=O
InChIInChI=1S/C9H8F3NO3/c1-5-3-6(4-14)8(15-2)13-7(5)16-9(10,11)12/h3-4H,1-2H3
InChIKeyWLJFCRGZFWYQEA-UHFFFAOYSA-N
XLogP2.11
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 134670145) is 2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde is COc1nc(OC(F)(F)F)c(C)cc1C=O.
What is the InChIKey of 2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is WLJFCRGZFWYQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-5-3-6(4-14)8(15-2)13-7(5)16-9(10,11)12/h3-4H,1-2H3.
What are the key properties of 2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 235.16 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 134670145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).