7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one

C16H10BrN3O — CID 137239094

IUPAC7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one
SMILESO=c1cc2[nH]c3cc(Br)ccc3c2nn1-c1ccccc1
InChIInChI=1S/C16H10BrN3O/c17-10-6-7-12-13(8-10)18-14-9-15(21)20(19-16(12)14)11-4-2-1-3-5-11/h1-9,18H
InChIKeyQMHPOWPCSBILHK-UHFFFAOYSA-N
MW340.18 g/mol
LogP3.63
Rot. Bonds1

About 7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one

7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one (PubChem CID 137239094) has the molecular formula C16H10BrN3O and a molecular weight of 340.18 g/mol. Its IUPAC name is 7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one.

Molecular Properties

Compound Name7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one
PubChem CID137239094
Molecular FormulaC16H10BrN3O
Molecular Weight340.18 g/mol
Exact Mass339.00
IUPAC Name7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one
SMILESO=c1cc2[nH]c3cc(Br)ccc3c2nn1-c1ccccc1
InChIInChI=1S/C16H10BrN3O/c17-10-6-7-12-13(8-10)18-14-9-15(21)20(19-16(12)14)11-4-2-1-3-5-11/h1-9,18H
InChIKeyQMHPOWPCSBILHK-UHFFFAOYSA-N
XLogP3.63
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one?
The IUPAC name of 7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one (CID 137239094) is 7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one.
What is the SMILES notation for 7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one?
The canonical SMILES for 7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one is O=c1cc2[nH]c3cc(Br)ccc3c2nn1-c1ccccc1.
What is the InChIKey of 7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one?
The InChIKey is QMHPOWPCSBILHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O/c17-10-6-7-12-13(8-10)18-14-9-15(21)20(19-16(12)14)11-4-2-1-3-5-11/h1-9,18H.
What are the key properties of 7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one?
7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one has a molecular weight of 340.18 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one is sourced from PubChem (CID 137239094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).