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

C9H6F5NO3 — CID 134677184

IUPAC3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESCOc1cnc(OC(F)(F)F)c(C(F)F)c1C=O
InChIInChI=1S/C9H6F5NO3/c1-17-5-2-15-8(18-9(12,13)14)6(7(10)11)4(5)3-16/h2-3,7H,1H3
InChIKeyHEFGYSYTHJMKOD-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.74
Rot. Bonds4

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

3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde (PubChem CID 134677184) has the molecular formula C9H6F5NO3 and a molecular weight of 271.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
PubChem CID134677184
Molecular FormulaC9H6F5NO3
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC Name3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESCOc1cnc(OC(F)(F)F)c(C(F)F)c1C=O
InChIInChI=1S/C9H6F5NO3/c1-17-5-2-15-8(18-9(12,13)14)6(7(10)11)4(5)3-16/h2-3,7H,1H3
InChIKeyHEFGYSYTHJMKOD-UHFFFAOYSA-N
XLogP2.74
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-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

3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridin-4-amine
CID 118800001
4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
CID 134660494
4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118823749
2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118847981
2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118815612
5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134667776
4-(chloromethyl)-2-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134681677
4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde
CID 130083465
4-amino-2-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118829242
3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 130106112
4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118812562
5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133099508

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde (CID 134677184) is 3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde is COc1cnc(OC(F)(F)F)c(C(F)F)c1C=O.
What is the InChIKey of 3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The InChIKey is HEFGYSYTHJMKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO3/c1-17-5-2-15-8(18-9(12,13)14)6(7(10)11)4(5)3-16/h2-3,7H,1H3.
What are the key properties of 3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde has a molecular weight of 271.14 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 134677184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).