2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde

C8H6F3NO2 — CID 118704417

IUPAC2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESCOc1nccc(C=O)c1C(F)(F)F
InChIInChI=1S/C8H6F3NO2/c1-14-7-6(8(9,10)11)5(4-13)2-3-12-7/h2-4H,1H3
InChIKeyYMCXKUVXOOIBAX-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.92
Rot. Bonds2

About 2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde

2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde (PubChem CID 118704417) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
PubChem CID118704417
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESCOc1nccc(C=O)c1C(F)(F)F
InChIInChI=1S/C8H6F3NO2/c1-14-7-6(8(9,10)11)5(4-13)2-3-12-7/h2-4H,1H3
InChIKeyYMCXKUVXOOIBAX-UHFFFAOYSA-N
XLogP1.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.92
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 2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde (CID 118704417) is 2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde is COc1nccc(C=O)c1C(F)(F)F.
What is the InChIKey of 2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is YMCXKUVXOOIBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c1-14-7-6(8(9,10)11)5(4-13)2-3-12-7/h2-4H,1H3.
What are the key properties of 2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde?
2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 205.13 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 118704417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).