2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde

C13H9F2NO2 — CID 114270433

IUPAC2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde
SMILESCOc1nccc(-c2ccc(C=O)c(F)c2)c1F
InChIInChI=1S/C13H9F2NO2/c1-18-13-12(15)10(4-5-16-13)8-2-3-9(7-17)11(14)6-8/h2-7H,1H3
InChIKeyOUTXTALDIVASGP-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.85
Rot. Bonds3

About 2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde

2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde (PubChem CID 114270433) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde
PubChem CID114270433
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde
SMILESCOc1nccc(-c2ccc(C=O)c(F)c2)c1F
InChIInChI=1S/C13H9F2NO2/c1-18-13-12(15)10(4-5-16-13)8-2-3-9(7-17)11(14)6-8/h2-7H,1H3
InChIKeyOUTXTALDIVASGP-UHFFFAOYSA-N
XLogP2.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde 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 2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde?
The IUPAC name of 2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde (CID 114270433) is 2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde?
The canonical SMILES for 2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde is COc1nccc(-c2ccc(C=O)c(F)c2)c1F.
What is the InChIKey of 2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde?
The InChIKey is OUTXTALDIVASGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c1-18-13-12(15)10(4-5-16-13)8-2-3-9(7-17)11(14)6-8/h2-7H,1H3.
What are the key properties of 2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde?
2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde has a molecular weight of 249.22 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde is sourced from PubChem (CID 114270433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).