4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde

C9H5F6NO3 — CID 134665245

IUPAC4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESCOc1c(C(F)(F)F)cnc(C=O)c1OC(F)(F)F
InChIInChI=1S/C9H5F6NO3/c1-18-6-4(8(10,11)12)2-16-5(3-17)7(6)19-9(13,14)15/h2-3H,1H3
InChIKeyZVFDBADIUGVDHR-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.82
Rot. Bonds3

About 4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde

4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 134665245) has the molecular formula C9H5F6NO3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID134665245
Molecular FormulaC9H5F6NO3
Molecular Weight289.13 g/mol
Exact Mass289.02
IUPAC Name4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESCOc1c(C(F)(F)F)cnc(C=O)c1OC(F)(F)F
InChIInChI=1S/C9H5F6NO3/c1-18-6-4(8(10,11)12)2-16-5(3-17)7(6)19-9(13,14)15/h2-3H,1H3
InChIKeyZVFDBADIUGVDHR-UHFFFAOYSA-N
XLogP2.82
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134660144
[4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 134669917
2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134668342
2-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134670134
3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134666970
4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134666348
5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134667822
4-methyl-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134677349
5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 131364675
4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130112441
2-(bromomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-4-carbaldehyde
CID 134676064
methyl 5-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668443

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde (CID 134665245) is 4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde is COc1c(C(F)(F)F)cnc(C=O)c1OC(F)(F)F.
What is the InChIKey of 4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is ZVFDBADIUGVDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO3/c1-18-6-4(8(10,11)12)2-16-5(3-17)7(6)19-9(13,14)15/h2-3H,1H3.
What are the key properties of 4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde?
4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 289.13 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 134665245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).