8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline

C10H5BrClN3 — CID 66574972

IUPAC8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline
SMILESClc1nc2ccc(Br)cc2c2cn[nH]c12
InChIInChI=1S/C10H5BrClN3/c11-5-1-2-8-6(3-5)7-4-13-15-9(7)10(12)14-8/h1-4H,(H,13,15)
InChIKeyUPUVMSLDAUUZDP-UHFFFAOYSA-N
MW282.53 g/mol
LogP3.53
Rot. Bonds

About 8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline

8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline (PubChem CID 66574972) has the molecular formula C10H5BrClN3 and a molecular weight of 282.53 g/mol. Its IUPAC name is 8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline.

Molecular Properties

Compound Name8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline
PubChem CID66574972
Molecular FormulaC10H5BrClN3
Molecular Weight282.53 g/mol
Exact Mass280.94
IUPAC Name8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline
SMILESClc1nc2ccc(Br)cc2c2cn[nH]c12
InChIInChI=1S/C10H5BrClN3/c11-5-1-2-8-6(3-5)7-4-13-15-9(7)10(12)14-8/h1-4H,(H,13,15)
InChIKeyUPUVMSLDAUUZDP-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.53
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline?
The IUPAC name of 8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline (CID 66574972) is 8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline.
What is the SMILES notation for 8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline?
The canonical SMILES for 8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline is Clc1nc2ccc(Br)cc2c2cn[nH]c12.
What is the InChIKey of 8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline?
The InChIKey is UPUVMSLDAUUZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3/c11-5-1-2-8-6(3-5)7-4-13-15-9(7)10(12)14-8/h1-4H,(H,13,15).
What are the key properties of 8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline?
8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline has a molecular weight of 282.53 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline is sourced from PubChem (CID 66574972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).