5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine

C19H23BrFNO — CID 19387546

IUPAC5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine
SMILESCCCCCCCCOc1ccc(-c2ncc(Br)cc2F)cc1
InChIInChI=1S/C19H23BrFNO/c1-2-3-4-5-6-7-12-23-17-10-8-15(9-11-17)19-18(21)13-16(20)14-22-19/h8-11,13-14H,2-7,12H2,1H3
InChIKeyFGCLOZWITPAMDU-UHFFFAOYSA-N
MW380.30 g/mol
LogP6.39
Rot. Bonds9

About 5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine

5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine (PubChem CID 19387546) has the molecular formula C19H23BrFNO and a molecular weight of 380.30 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine
PubChem CID19387546
Molecular FormulaC19H23BrFNO
Molecular Weight380.30 g/mol
Exact Mass379.09
IUPAC Name5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine
SMILESCCCCCCCCOc1ccc(-c2ncc(Br)cc2F)cc1
InChIInChI=1S/C19H23BrFNO/c1-2-3-4-5-6-7-12-23-17-10-8-15(9-11-17)19-18(21)13-16(20)14-22-19/h8-11,13-14H,2-7,12H2,1H3
InChIKeyFGCLOZWITPAMDU-UHFFFAOYSA-N
XLogP6.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.30
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine 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-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine?
The IUPAC name of 5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine (CID 19387546) is 5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine.
What is the SMILES notation for 5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine?
The canonical SMILES for 5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine is CCCCCCCCOc1ccc(-c2ncc(Br)cc2F)cc1.
What is the InChIKey of 5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine?
The InChIKey is FGCLOZWITPAMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrFNO/c1-2-3-4-5-6-7-12-23-17-10-8-15(9-11-17)19-18(21)13-16(20)14-22-19/h8-11,13-14H,2-7,12H2,1H3.
What are the key properties of 5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine?
5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine has a molecular weight of 380.30 g/mol, XLogP of 6.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2-(4-octoxyphenyl)pyridine is sourced from PubChem (CID 19387546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).