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

C10H5BrClN3 — CID 90104011

IUPAC7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline
SMILESClc1nc2cc(Br)ccc2c2cn[nH]c12
InChIInChI=1S/C10H5BrClN3/c11-5-1-2-6-7-4-13-15-9(7)10(12)14-8(6)3-5/h1-4H,(H,13,15)
InChIKeyMBDCMTFMBYZNLY-UHFFFAOYSA-N
MW282.53 g/mol
LogP3.53
Rot. Bonds

About 7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline

7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline (PubChem CID 90104011) has the molecular formula C10H5BrClN3 and a molecular weight of 282.53 g/mol. Its IUPAC name is 7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline.

Molecular Properties

Compound Name7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline
PubChem CID90104011
Molecular FormulaC10H5BrClN3
Molecular Weight282.53 g/mol
Exact Mass280.94
IUPAC Name7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline
SMILESClc1nc2cc(Br)ccc2c2cn[nH]c12
InChIInChI=1S/C10H5BrClN3/c11-5-1-2-6-7-4-13-15-9(7)10(12)14-8(6)3-5/h1-4H,(H,13,15)
InChIKeyMBDCMTFMBYZNLY-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 7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline?
The IUPAC name of 7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline (CID 90104011) is 7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline.
What is the SMILES notation for 7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline?
The canonical SMILES for 7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline is Clc1nc2cc(Br)ccc2c2cn[nH]c12.
What is the InChIKey of 7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline?
The InChIKey is MBDCMTFMBYZNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3/c11-5-1-2-6-7-4-13-15-9(7)10(12)14-8(6)3-5/h1-4H,(H,13,15).
What are the key properties of 7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline?
7-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 7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline is sourced from PubChem (CID 90104011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).