6-bromo-4,8-dichloro-3-nitroquinoline

C9H3BrCl2N2O2 — CID 102614066

IUPAC6-bromo-4,8-dichloro-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2c(Cl)cc(Br)cc2c1Cl
InChIInChI=1S/C9H3BrCl2N2O2/c10-4-1-5-8(12)7(14(15)16)3-13-9(5)6(11)2-4/h1-3H
InChIKeyHQPPJKPLRCPJBL-UHFFFAOYSA-N
MW321.95 g/mol
LogP4.21
Rot. Bonds1

About 6-bromo-4,8-dichloro-3-nitroquinoline

6-bromo-4,8-dichloro-3-nitroquinoline (PubChem CID 102614066) has the molecular formula C9H3BrCl2N2O2 and a molecular weight of 321.95 g/mol. Its IUPAC name is 6-bromo-4,8-dichloro-3-nitroquinoline.

Molecular Properties

Compound Name6-bromo-4,8-dichloro-3-nitroquinoline
PubChem CID102614066
Molecular FormulaC9H3BrCl2N2O2
Molecular Weight321.95 g/mol
Exact Mass319.88
IUPAC Name6-bromo-4,8-dichloro-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2c(Cl)cc(Br)cc2c1Cl
InChIInChI=1S/C9H3BrCl2N2O2/c10-4-1-5-8(12)7(14(15)16)3-13-9(5)6(11)2-4/h1-3H
InChIKeyHQPPJKPLRCPJBL-UHFFFAOYSA-N
XLogP4.21
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.95
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5,8-dibromo-4-chloro-3-nitroquinoline
CID 102614186
5-bromo-3-chloro-2-nitropyridine
CID 131027901
7-bromo-1-chloro-4-fluoro-5-nitroisoquinoline
CID 170903705
6-bromo-4-chloro-5,8-difluoro-3-nitroquinoline
CID 107615385
4-chloro-8-methyl-3-nitro-1,7-naphthyridine
CID 103416471
4-chloro-6-methyl-3-nitro-1,7-naphthyridine
CID 167583843
5-bromo-1-chloro-2-ethoxy-3-nitrobenzene
CID 70699765
2,4-dibromo-3-chloro-1,5-dinitrobenzene
CID 175294119
4-chloro-3-nitroquinoline;ethane
CID 90799881
4,5,7-trichloro-6-fluoro-3-nitroquinoline
CID 107577340
8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline
CID 102613983
2,3,4-trichloro-1,5-dinitrobenzene
CID 22875

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,8-dichloro-3-nitroquinoline?
The IUPAC name of 6-bromo-4,8-dichloro-3-nitroquinoline (CID 102614066) is 6-bromo-4,8-dichloro-3-nitroquinoline.
What is the SMILES notation for 6-bromo-4,8-dichloro-3-nitroquinoline?
The canonical SMILES for 6-bromo-4,8-dichloro-3-nitroquinoline is O=[N+]([O-])c1cnc2c(Cl)cc(Br)cc2c1Cl.
What is the InChIKey of 6-bromo-4,8-dichloro-3-nitroquinoline?
The InChIKey is HQPPJKPLRCPJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrCl2N2O2/c10-4-1-5-8(12)7(14(15)16)3-13-9(5)6(11)2-4/h1-3H.
What are the key properties of 6-bromo-4,8-dichloro-3-nitroquinoline?
6-bromo-4,8-dichloro-3-nitroquinoline has a molecular weight of 321.95 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,8-dichloro-3-nitroquinoline is sourced from PubChem (CID 102614066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).