8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one

C13H7BrFNO2 — CID 22625852

IUPAC8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one
SMILESNc1ccc2c(c1Br)c(=O)oc1c(F)cccc12
InChIInChI=1S/C13H7BrFNO2/c14-11-9(16)5-4-6-7-2-1-3-8(15)12(7)18-13(17)10(6)11/h1-5H,16H2
InChIKeyIALYBXCFEGSEPS-UHFFFAOYSA-N
MW308.11 g/mol
LogP3.43
Rot. Bonds

About 8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one

8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one (PubChem CID 22625852) has the molecular formula C13H7BrFNO2 and a molecular weight of 308.11 g/mol. Its IUPAC name is 8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one
PubChem CID22625852
Molecular FormulaC13H7BrFNO2
Molecular Weight308.11 g/mol
Exact Mass306.96
IUPAC Name8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one
SMILESNc1ccc2c(c1Br)c(=O)oc1c(F)cccc12
InChIInChI=1S/C13H7BrFNO2/c14-11-9(16)5-4-6-7-2-1-3-8(15)12(7)18-13(17)10(6)11/h1-5H,16H2
InChIKeyIALYBXCFEGSEPS-UHFFFAOYSA-N
XLogP3.43
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.11
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one 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 8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one?
The IUPAC name of 8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one (CID 22625852) is 8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one.
What is the SMILES notation for 8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one?
The canonical SMILES for 8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one is Nc1ccc2c(c1Br)c(=O)oc1c(F)cccc12.
What is the InChIKey of 8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one?
The InChIKey is IALYBXCFEGSEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFNO2/c14-11-9(16)5-4-6-7-2-1-3-8(15)12(7)18-13(17)10(6)11/h1-5H,16H2.
What are the key properties of 8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one?
8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one has a molecular weight of 308.11 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one is sourced from PubChem (CID 22625852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).