2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one

C15H7BrINO — CID 162354038

IUPAC2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one
SMILESO=C1c2cc(Br)ccc2-c2[nH]c3cc(I)ccc3c21
InChIInChI=1S/C15H7BrINO/c16-7-1-3-9-11(5-7)15(19)13-10-4-2-8(17)6-12(10)18-14(9)13/h1-6,18H
InChIKeyWMLFWZZOWGGQMQ-UHFFFAOYSA-N
MW424.04 g/mol
LogP4.75
Rot. Bonds

About 2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one

2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one (PubChem CID 162354038) has the molecular formula C15H7BrINO and a molecular weight of 424.04 g/mol. Its IUPAC name is 2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one.

Molecular Properties

Compound Name2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one
PubChem CID162354038
Molecular FormulaC15H7BrINO
Molecular Weight424.04 g/mol
Exact Mass422.88
IUPAC Name2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one
SMILESO=C1c2cc(Br)ccc2-c2[nH]c3cc(I)ccc3c21
InChIInChI=1S/C15H7BrINO/c16-7-1-3-9-11(5-7)15(19)13-10-4-2-8(17)6-12(10)18-14(9)13/h1-6,18H
InChIKeyWMLFWZZOWGGQMQ-UHFFFAOYSA-N
XLogP4.75
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.04
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 2785776
3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione
CID 141418126
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CID 11807923
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CID 90253719
3-bromo-6-hydroxyphenanthrene-9,10-dione
CID 67151152
6-bromo-1-chloroanthracene-9,10-dione
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3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 166070496
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CID 15745128

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one?
The IUPAC name of 2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one (CID 162354038) is 2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one.
What is the SMILES notation for 2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one?
The canonical SMILES for 2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one is O=C1c2cc(Br)ccc2-c2[nH]c3cc(I)ccc3c21.
What is the InChIKey of 2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one?
The InChIKey is WMLFWZZOWGGQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrINO/c16-7-1-3-9-11(5-7)15(19)13-10-4-2-8(17)6-12(10)18-14(9)13/h1-6,18H.
What are the key properties of 2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one?
2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one has a molecular weight of 424.04 g/mol, XLogP of 4.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-iodo-5H-indeno[1,2-b]indol-10-one is sourced from PubChem (CID 162354038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).