7-bromo-2-chloroquinoline-5,8-dione

C9H3BrClNO2 — CID 44632455

IUPAC7-bromo-2-chloroquinoline-5,8-dione
SMILESO=C1C=C(Br)C(=O)c2nc(Cl)ccc21
InChIInChI=1S/C9H3BrClNO2/c10-5-3-6(13)4-1-2-7(11)12-8(4)9(5)14/h1-3H
InChIKeyOPOCTDNTRTVDKP-UHFFFAOYSA-N
MW272.49 g/mol
LogP2.39
Rot. Bonds

About 7-bromo-2-chloroquinoline-5,8-dione

7-bromo-2-chloroquinoline-5,8-dione (PubChem CID 44632455) has the molecular formula C9H3BrClNO2 and a molecular weight of 272.49 g/mol. Its IUPAC name is 7-bromo-2-chloroquinoline-5,8-dione.

Molecular Properties

Compound Name7-bromo-2-chloroquinoline-5,8-dione
PubChem CID44632455
Molecular FormulaC9H3BrClNO2
Molecular Weight272.49 g/mol
Exact Mass270.90
IUPAC Name7-bromo-2-chloroquinoline-5,8-dione
SMILESO=C1C=C(Br)C(=O)c2nc(Cl)ccc21
InChIInChI=1S/C9H3BrClNO2/c10-5-3-6(13)4-1-2-7(11)12-8(4)9(5)14/h1-3H
InChIKeyOPOCTDNTRTVDKP-UHFFFAOYSA-N
XLogP2.39
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.49
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloroquinoline-5,8-dione?
The IUPAC name of 7-bromo-2-chloroquinoline-5,8-dione (CID 44632455) is 7-bromo-2-chloroquinoline-5,8-dione.
What is the SMILES notation for 7-bromo-2-chloroquinoline-5,8-dione?
The canonical SMILES for 7-bromo-2-chloroquinoline-5,8-dione is O=C1C=C(Br)C(=O)c2nc(Cl)ccc21.
What is the InChIKey of 7-bromo-2-chloroquinoline-5,8-dione?
The InChIKey is OPOCTDNTRTVDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrClNO2/c10-5-3-6(13)4-1-2-7(11)12-8(4)9(5)14/h1-3H.
What are the key properties of 7-bromo-2-chloroquinoline-5,8-dione?
7-bromo-2-chloroquinoline-5,8-dione has a molecular weight of 272.49 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloroquinoline-5,8-dione is sourced from PubChem (CID 44632455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).