5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde

C9H7F4NO3 — CID 134661991

IUPAC5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCOc1nc(OC(F)(F)F)c(CF)cc1C=O
InChIInChI=1S/C9H7F4NO3/c1-16-7-6(4-15)2-5(3-10)8(14-7)17-9(11,12)13/h2,4H,3H2,1H3
InChIKeyMWKWIEHLNKXPRQ-UHFFFAOYSA-N
MW253.15 g/mol
LogP2.27
Rot. Bonds4

About 5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde

5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 134661991) has the molecular formula C9H7F4NO3 and a molecular weight of 253.15 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID134661991
Molecular FormulaC9H7F4NO3
Molecular Weight253.15 g/mol
Exact Mass253.04
IUPAC Name5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCOc1nc(OC(F)(F)F)c(CF)cc1C=O
InChIInChI=1S/C9H7F4NO3/c1-16-7-6(4-15)2-5(3-10)8(14-7)17-9(11,12)13/h2,4H,3H2,1H3
InChIKeyMWKWIEHLNKXPRQ-UHFFFAOYSA-N
XLogP2.27
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(fluoromethyl)-2-methoxy-6-(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

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 134661991) is 5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde is COc1nc(OC(F)(F)F)c(CF)cc1C=O.
What is the InChIKey of 5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is MWKWIEHLNKXPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO3/c1-16-7-6(4-15)2-5(3-10)8(14-7)17-9(11,12)13/h2,4H,3H2,1H3.
What are the key properties of 5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 253.15 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 134661991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).