6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde

C15H12F3NO2 — CID 78929099

IUPAC6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde
SMILESCc1ccc(OCc2cccc(C(F)(F)F)c2)c(C=O)n1
InChIInChI=1S/C15H12F3NO2/c1-10-5-6-14(13(8-20)19-10)21-9-11-3-2-4-12(7-11)15(16,17)18/h2-8H,9H2,1H3
InChIKeyFUAGZNNYIYBMKA-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.80
Rot. Bonds4

About 6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde

6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde (PubChem CID 78929099) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde
PubChem CID78929099
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde
SMILESCc1ccc(OCc2cccc(C(F)(F)F)c2)c(C=O)n1
InChIInChI=1S/C15H12F3NO2/c1-10-5-6-14(13(8-20)19-10)21-9-11-3-2-4-12(7-11)15(16,17)18/h2-8H,9H2,1H3
InChIKeyFUAGZNNYIYBMKA-UHFFFAOYSA-N
XLogP3.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929137
3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 105403665
2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 102132722
3-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 115955486
2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437992
2-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437803
2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 63535402
5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 58007781
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929205

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde?
The IUPAC name of 6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde (CID 78929099) is 6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde is Cc1ccc(OCc2cccc(C(F)(F)F)c2)c(C=O)n1.
What is the InChIKey of 6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde?
The InChIKey is FUAGZNNYIYBMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-10-5-6-14(13(8-20)19-10)21-9-11-3-2-4-12(7-11)15(16,17)18/h2-8H,9H2,1H3.
What are the key properties of 6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde?
6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde has a molecular weight of 295.26 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 78929099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).