4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde

C9H8F3NO3 — CID 134666348

IUPAC4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCOc1c(C=O)cnc(C)c1OC(F)(F)F
InChIInChI=1S/C9H8F3NO3/c1-5-7(16-9(10,11)12)8(15-2)6(4-14)3-13-5/h3-4H,1-2H3
InChIKeyLCNVREKJCOLQKL-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.11
Rot. Bonds3

About 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde

4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 134666348) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID134666348
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCOc1c(C=O)cnc(C)c1OC(F)(F)F
InChIInChI=1S/C9H8F3NO3/c1-5-7(16-9(10,11)12)8(15-2)6(4-14)3-13-5/h3-4H,1-2H3
InChIKeyLCNVREKJCOLQKL-UHFFFAOYSA-N
XLogP2.11
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662278
6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130112973
2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130093349
5-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134672122
4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134665245
2-[5-methoxy-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134678583
6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130113178
5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661449
CID 172747155
CID 172747155
6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118809518
6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118814688
2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660115

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 134666348) is 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde is COc1c(C=O)cnc(C)c1OC(F)(F)F.
What is the InChIKey of 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is LCNVREKJCOLQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-5-7(16-9(10,11)12)8(15-2)6(4-14)3-13-5/h3-4H,1-2H3.
What are the key properties of 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde?
4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 235.16 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 134666348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).