7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine

C14H7Br3N2O3 — CID 161039982

IUPAC7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine
SMILESBrc1ncc(Br)c2occc12.O=c1[nH]cc(Br)c2occc12
InChIInChI=1S/C7H3Br2NO.C7H4BrNO2/c8-5-3-10-7(9)4-1-2-11-6(4)5;8-5-3-9-7(10)4-1-2-11-6(4)5/h1-3H;1-3H,(H,9,10)
InChIKeyUATFSUHHXBEGNM-UHFFFAOYSA-N
MW490.93 g/mol
LogP5.24
Rot. Bonds

About 7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine

7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine (PubChem CID 161039982) has the molecular formula C14H7Br3N2O3 and a molecular weight of 490.93 g/mol. Its IUPAC name is 7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine.

Molecular Properties

Compound Name7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine
PubChem CID161039982
Molecular FormulaC14H7Br3N2O3
Molecular Weight490.93 g/mol
Exact Mass487.80
IUPAC Name7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine
SMILESBrc1ncc(Br)c2occc12.O=c1[nH]cc(Br)c2occc12
InChIInChI=1S/C7H3Br2NO.C7H4BrNO2/c8-5-3-10-7(9)4-1-2-11-6(4)5;8-5-3-9-7(10)4-1-2-11-6(4)5/h1-3H;1-3H,(H,9,10)
InChIKeyUATFSUHHXBEGNM-UHFFFAOYSA-N
XLogP5.24
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.93
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]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 7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine?
The IUPAC name of 7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine (CID 161039982) is 7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine.
What is the SMILES notation for 7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine?
The canonical SMILES for 7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine is Brc1ncc(Br)c2occc12.O=c1[nH]cc(Br)c2occc12.
What is the InChIKey of 7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine?
The InChIKey is UATFSUHHXBEGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2NO.C7H4BrNO2/c8-5-3-10-7(9)4-1-2-11-6(4)5;8-5-3-9-7(10)4-1-2-11-6(4)5/h1-3H;1-3H,(H,9,10).
What are the key properties of 7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine?
7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine has a molecular weight of 490.93 g/mol, XLogP of 5.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5H-furo[3,2-c]pyridin-4-one;4,7-dibromofuro[3,2-c]pyridine is sourced from PubChem (CID 161039982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).