5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine

C15H11FN2 — CID 70501223

IUPAC5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine
SMILESFc1ccccc1C1=c2cccnc2=CCC=N1
InChIInChI=1S/C15H11FN2/c16-13-7-2-1-5-11(13)15-12-6-3-9-17-14(12)8-4-10-18-15/h1-3,5-10H,4H2
InChIKeyYVCKIOZYBMSWNP-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.63
Rot. Bonds1

About 5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine

5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine (PubChem CID 70501223) has the molecular formula C15H11FN2 and a molecular weight of 238.27 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine
PubChem CID70501223
Molecular FormulaC15H11FN2
Molecular Weight238.27 g/mol
Exact Mass238.09
IUPAC Name5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine
SMILESFc1ccccc1C1=c2cccnc2=CCC=N1
InChIInChI=1S/C15H11FN2/c16-13-7-2-1-5-11(13)15-12-6-3-9-17-14(12)8-4-10-18-15/h1-3,5-10H,4H2
InChIKeyYVCKIOZYBMSWNP-UHFFFAOYSA-N
XLogP1.63
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine 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-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine?
The IUPAC name of 5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine (CID 70501223) is 5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine.
What is the SMILES notation for 5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine?
The canonical SMILES for 5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine is Fc1ccccc1C1=c2cccnc2=CCC=N1.
What is the InChIKey of 5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine?
The InChIKey is YVCKIOZYBMSWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2/c16-13-7-2-1-5-11(13)15-12-6-3-9-17-14(12)8-4-10-18-15/h1-3,5-10H,4H2.
What are the key properties of 5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine?
5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine has a molecular weight of 238.27 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine is sourced from PubChem (CID 70501223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).