2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde

C8H6F3NO2 — CID 130093349

IUPAC2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESCc1nccc(C=O)c1OC(F)(F)F
InChIInChI=1S/C8H6F3NO2/c1-5-7(14-8(9,10)11)6(4-13)2-3-12-5/h2-4H,1H3
InChIKeyAZCSTARJEPAVES-UHFFFAOYSA-N
MW205.13 g/mol
LogP2.10
Rot. Bonds2

About 2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde

2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde (PubChem CID 130093349) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde
PubChem CID130093349
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESCc1nccc(C=O)c1OC(F)(F)F
InChIInChI=1S/C8H6F3NO2/c1-5-7(14-8(9,10)11)6(4-13)2-3-12-5/h2-4H,1H3
InChIKeyAZCSTARJEPAVES-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
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-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde (CID 130093349) is 2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde is Cc1nccc(C=O)c1OC(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
The InChIKey is AZCSTARJEPAVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c1-5-7(14-8(9,10)11)6(4-13)2-3-12-5/h2-4H,1H3.
What are the key properties of 2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde has a molecular weight of 205.13 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 130093349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).