6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

C14H10F3NO2 — CID 134631360

IUPAC6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESCOc1ncc(C=O)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO2/c1-20-13-11(6-9(8-19)7-18-13)10-4-2-3-5-12(10)14(15,16)17/h2-8H,1H3
InChIKeyFXHWFPJUXBKIDA-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.59
Rot. Bonds3

About 6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (PubChem CID 134631360) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
PubChem CID134631360
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESCOc1ncc(C=O)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO2/c1-20-13-11(6-9(8-19)7-18-13)10-4-2-3-5-12(10)14(15,16)17/h2-8H,1H3
InChIKeyFXHWFPJUXBKIDA-UHFFFAOYSA-N
XLogP3.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.59
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-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde
CID 134617334
methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 142549771
5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
CID 133089593
4-chloro-N-(5-formyl-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 90105320
4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134628438
methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635594
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
5-ethyl-2-fluoro-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine;6-methoxy-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carbaldehyde
CID 123768225
2-methoxy-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134620611
3-phenyl-4-(trifluoromethyl)benzaldehyde
CID 46314974
3-[[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 97058040
5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 133089617

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (CID 134631360) is 6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is COc1ncc(C=O)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The InChIKey is FXHWFPJUXBKIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-20-13-11(6-9(8-19)7-18-13)10-4-2-3-5-12(10)14(15,16)17/h2-8H,1H3.
What are the key properties of 6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde has a molecular weight of 281.23 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 134631360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).