6,7-dibromo-1H-cinnolin-4-one

C8H4Br2N2O — CID 165443334

IUPAC6,7-dibromo-1H-cinnolin-4-one
SMILESO=c1cn[nH]c2cc(Br)c(Br)cc12
InChIInChI=1S/C8H4Br2N2O/c9-5-1-4-7(2-6(5)10)12-11-3-8(4)13/h1-3H,(H,12,13)
InChIKeyUSWZJKMOWPCTLW-UHFFFAOYSA-N
MW303.94 g/mol
LogP2.45
Rot. Bonds

About 6,7-dibromo-1H-cinnolin-4-one

6,7-dibromo-1H-cinnolin-4-one (PubChem CID 165443334) has the molecular formula C8H4Br2N2O and a molecular weight of 303.94 g/mol. Its IUPAC name is 6,7-dibromo-1H-cinnolin-4-one.

Molecular Properties

Compound Name6,7-dibromo-1H-cinnolin-4-one
PubChem CID165443334
Molecular FormulaC8H4Br2N2O
Molecular Weight303.94 g/mol
Exact Mass301.87
IUPAC Name6,7-dibromo-1H-cinnolin-4-one
SMILESO=c1cn[nH]c2cc(Br)c(Br)cc12
InChIInChI=1S/C8H4Br2N2O/c9-5-1-4-7(2-6(5)10)12-11-3-8(4)13/h1-3H,(H,12,13)
InChIKeyUSWZJKMOWPCTLW-UHFFFAOYSA-N
XLogP2.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.94
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dimethoxy-1H-cinnolin-4-one
CID 12932777
6-chloro-1H-cinnolin-4-one
CID 139057390
6-chloro-7-methoxy-1H-cinnolin-4-one
CID 157040708
5,6-dibromo-1H-indazol-3-amine
CID 22319557
methyl 4-oxo-1H-cinnoline-6-carboxylate
CID 67119550
6-bromo-5-iodo-1H-indazole
CID 156619372
6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride
CID 169092158
4-bromo-5,6-dichloro-1H-indazole
CID 139345853
2-(6-bromo-1H-indazol-4-yl)acetic acid
CID 174657901
4-bromo-6-chloro-1H-indazole-5-carbaldehyde
CID 171613711
5-bromo-7-fluoro-2H-phthalazin-1-one
CID 177201388
4-bromo-6-fluoro-5-methyl-1H-indazole
CID 139508183

Frequently Asked Questions

What is the IUPAC name of 6,7-dibromo-1H-cinnolin-4-one?
The IUPAC name of 6,7-dibromo-1H-cinnolin-4-one (CID 165443334) is 6,7-dibromo-1H-cinnolin-4-one.
What is the SMILES notation for 6,7-dibromo-1H-cinnolin-4-one?
The canonical SMILES for 6,7-dibromo-1H-cinnolin-4-one is O=c1cn[nH]c2cc(Br)c(Br)cc12.
What is the InChIKey of 6,7-dibromo-1H-cinnolin-4-one?
The InChIKey is USWZJKMOWPCTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2O/c9-5-1-4-7(2-6(5)10)12-11-3-8(4)13/h1-3H,(H,12,13).
What are the key properties of 6,7-dibromo-1H-cinnolin-4-one?
6,7-dibromo-1H-cinnolin-4-one has a molecular weight of 303.94 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromo-1H-cinnolin-4-one is sourced from PubChem (CID 165443334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).