4-bromo-7-chloroisoquinoline;hydrochloride

C9H6BrCl2N — CID 119031124

IUPAC4-bromo-7-chloroisoquinoline;hydrochloride
SMILESCl.Clc1ccc2c(Br)cncc2c1
InChIInChI=1S/C9H5BrClN.ClH/c10-9-5-12-4-6-3-7(11)1-2-8(6)9;/h1-5H;1H
InChIKeyISDJIOJUATXWOL-UHFFFAOYSA-N
MW278.96 g/mol
LogP4.07
Rot. Bonds

About 4-bromo-7-chloroisoquinoline;hydrochloride

4-bromo-7-chloroisoquinoline;hydrochloride (PubChem CID 119031124) has the molecular formula C9H6BrCl2N and a molecular weight of 278.96 g/mol. Its IUPAC name is 4-bromo-7-chloroisoquinoline;hydrochloride.

Molecular Properties

Compound Name4-bromo-7-chloroisoquinoline;hydrochloride
PubChem CID119031124
Molecular FormulaC9H6BrCl2N
Molecular Weight278.96 g/mol
Exact Mass276.91
IUPAC Name4-bromo-7-chloroisoquinoline;hydrochloride
SMILESCl.Clc1ccc2c(Br)cncc2c1
InChIInChI=1S/C9H5BrClN.ClH/c10-9-5-12-4-6-3-7(11)1-2-8(6)9;/h1-5H;1H
InChIKeyISDJIOJUATXWOL-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.96
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-chloroisoquinoline;hydrochloride?
The IUPAC name of 4-bromo-7-chloroisoquinoline;hydrochloride (CID 119031124) is 4-bromo-7-chloroisoquinoline;hydrochloride.
What is the SMILES notation for 4-bromo-7-chloroisoquinoline;hydrochloride?
The canonical SMILES for 4-bromo-7-chloroisoquinoline;hydrochloride is Cl.Clc1ccc2c(Br)cncc2c1.
What is the InChIKey of 4-bromo-7-chloroisoquinoline;hydrochloride?
The InChIKey is ISDJIOJUATXWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN.ClH/c10-9-5-12-4-6-3-7(11)1-2-8(6)9;/h1-5H;1H.
What are the key properties of 4-bromo-7-chloroisoquinoline;hydrochloride?
4-bromo-7-chloroisoquinoline;hydrochloride has a molecular weight of 278.96 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-chloroisoquinoline;hydrochloride is sourced from PubChem (CID 119031124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).