2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine

C18H21BFNO4 — CID 151128249

IUPAC2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine
SMILESCCCOc1c(OC)ccc(-c2cccc(C3COB(O)C3)n2)c1F
InChIInChI=1S/C18H21BFNO4/c1-3-9-24-18-16(23-2)8-7-13(17(18)20)15-6-4-5-14(21-15)12-10-19(22)25-11-12/h4-8,12,22H,3,9-11H2,1-2H3
InChIKeyMTQPEDCPKQPOBQ-UHFFFAOYSA-N
MW345.18 g/mol
LogP3.28
Rot. Bonds6

About 2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine

2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine (PubChem CID 151128249) has the molecular formula C18H21BFNO4 and a molecular weight of 345.18 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine
PubChem CID151128249
Molecular FormulaC18H21BFNO4
Molecular Weight345.18 g/mol
Exact Mass345.15
IUPAC Name2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine
SMILESCCCOc1c(OC)ccc(-c2cccc(C3COB(O)C3)n2)c1F
InChIInChI=1S/C18H21BFNO4/c1-3-9-24-18-16(23-2)8-7-13(17(18)20)15-6-4-5-14(21-15)12-10-19(22)25-11-12/h4-8,12,22H,3,9-11H2,1-2H3
InChIKeyMTQPEDCPKQPOBQ-UHFFFAOYSA-N
XLogP3.28
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)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 2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine?
The IUPAC name of 2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine (CID 151128249) is 2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine.
What is the SMILES notation for 2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine?
The canonical SMILES for 2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine is CCCOc1c(OC)ccc(-c2cccc(C3COB(O)C3)n2)c1F.
What is the InChIKey of 2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine?
The InChIKey is MTQPEDCPKQPOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BFNO4/c1-3-9-24-18-16(23-2)8-7-13(17(18)20)15-6-4-5-14(21-15)12-10-19(22)25-11-12/h4-8,12,22H,3,9-11H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine?
2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine has a molecular weight of 345.18 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-(2-hydroxyoxaborolan-4-yl)pyridine is sourced from PubChem (CID 151128249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).