5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde

C8H8FNO2 — CID 163233411

IUPAC5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde
SMILESCOc1ncc(C=O)c(C)c1F
InChIInChI=1S/C8H8FNO2/c1-5-6(4-11)3-10-8(12-2)7(5)9/h3-4H,1-2H3
InChIKeyZYJHKHAXHFPPQR-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.35
Rot. Bonds2

About 5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde

5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde (PubChem CID 163233411) has the molecular formula C8H8FNO2 and a molecular weight of 169.15 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde
PubChem CID163233411
Molecular FormulaC8H8FNO2
Molecular Weight169.15 g/mol
Exact Mass169.05
IUPAC Name5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde
SMILESCOc1ncc(C=O)c(C)c1F
InChIInChI=1S/C8H8FNO2/c1-5-6(4-11)3-10-8(12-2)7(5)9/h3-4H,1-2H3
InChIKeyZYJHKHAXHFPPQR-UHFFFAOYSA-N
XLogP1.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-6-methoxy-4-methylpyridine-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-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde?
The IUPAC name of 5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde (CID 163233411) is 5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde?
The canonical SMILES for 5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde is COc1ncc(C=O)c(C)c1F.
What is the InChIKey of 5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde?
The InChIKey is ZYJHKHAXHFPPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-5-6(4-11)3-10-8(12-2)7(5)9/h3-4H,1-2H3.
What are the key properties of 5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde?
5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde has a molecular weight of 169.15 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 163233411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).