6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride

C9H8BrClN2O2 — CID 169092158

IUPAC6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride
SMILESCOc1cc(Br)cc2c(=O)cn[nH]c12.Cl
InChIInChI=1S/C9H7BrN2O2.ClH/c1-14-8-3-5(10)2-6-7(13)4-11-12-9(6)8;/h2-4H,1H3,(H,12,13);1H
InChIKeyIHRPPLVBAYCLOP-UHFFFAOYSA-N
MW291.53 g/mol
LogP2.12
Rot. Bonds1

About 6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride

6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride (PubChem CID 169092158) has the molecular formula C9H8BrClN2O2 and a molecular weight of 291.53 g/mol. Its IUPAC name is 6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride.

Molecular Properties

Compound Name6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride
PubChem CID169092158
Molecular FormulaC9H8BrClN2O2
Molecular Weight291.53 g/mol
Exact Mass289.95
IUPAC Name6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride
SMILESCOc1cc(Br)cc2c(=O)cn[nH]c12.Cl
InChIInChI=1S/C9H7BrN2O2.ClH/c1-14-8-3-5(10)2-6-7(13)4-11-12-9(6)8;/h2-4H,1H3,(H,12,13);1H
InChIKeyIHRPPLVBAYCLOP-UHFFFAOYSA-N
XLogP2.12
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride?
The IUPAC name of 6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride (CID 169092158) is 6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride.
What is the SMILES notation for 6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride?
The canonical SMILES for 6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride is COc1cc(Br)cc2c(=O)cn[nH]c12.Cl.
What is the InChIKey of 6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride?
The InChIKey is IHRPPLVBAYCLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2.ClH/c1-14-8-3-5(10)2-6-7(13)4-11-12-9(6)8;/h2-4H,1H3,(H,12,13);1H.
What are the key properties of 6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride?
6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride has a molecular weight of 291.53 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride is sourced from PubChem (CID 169092158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).