8-bromo-2-chloro-6-nitroquinoline

C9H4BrClN2O2 — CID 170331788

IUPAC8-bromo-2-chloro-6-nitroquinoline
SMILESO=[N+]([O-])c1cc(Br)c2nc(Cl)ccc2c1
InChIInChI=1S/C9H4BrClN2O2/c10-7-4-6(13(14)15)3-5-1-2-8(11)12-9(5)7/h1-4H
InChIKeyFBRCBFOCOCDJKC-UHFFFAOYSA-N
MW287.50 g/mol
LogP3.56
Rot. Bonds1

About 8-bromo-2-chloro-6-nitroquinoline

8-bromo-2-chloro-6-nitroquinoline (PubChem CID 170331788) has the molecular formula C9H4BrClN2O2 and a molecular weight of 287.50 g/mol. Its IUPAC name is 8-bromo-2-chloro-6-nitroquinoline.

Molecular Properties

Compound Name8-bromo-2-chloro-6-nitroquinoline
PubChem CID170331788
Molecular FormulaC9H4BrClN2O2
Molecular Weight287.50 g/mol
Exact Mass285.91
IUPAC Name8-bromo-2-chloro-6-nitroquinoline
SMILESO=[N+]([O-])c1cc(Br)c2nc(Cl)ccc2c1
InChIInChI=1S/C9H4BrClN2O2/c10-7-4-6(13(14)15)3-5-1-2-8(11)12-9(5)7/h1-4H
InChIKeyFBRCBFOCOCDJKC-UHFFFAOYSA-N
XLogP3.56
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine
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8-bromo-6-nitroquinoline;6-nitroquinoline
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N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine
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4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine
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1,2-dibromo-3-fluoro-5-nitrobenzene
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2-chloro-7-nitro-1,5-naphthyridine
CID 163817652
2-bromo-4-chloro-6-nitro-1,3-benzothiazole
CID 24728965
2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine
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7-chloro-3-nitro-8-(trichloromethyl)quinoline
CID 141314818

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloro-6-nitroquinoline?
The IUPAC name of 8-bromo-2-chloro-6-nitroquinoline (CID 170331788) is 8-bromo-2-chloro-6-nitroquinoline.
What is the SMILES notation for 8-bromo-2-chloro-6-nitroquinoline?
The canonical SMILES for 8-bromo-2-chloro-6-nitroquinoline is O=[N+]([O-])c1cc(Br)c2nc(Cl)ccc2c1.
What is the InChIKey of 8-bromo-2-chloro-6-nitroquinoline?
The InChIKey is FBRCBFOCOCDJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClN2O2/c10-7-4-6(13(14)15)3-5-1-2-8(11)12-9(5)7/h1-4H.
What are the key properties of 8-bromo-2-chloro-6-nitroquinoline?
8-bromo-2-chloro-6-nitroquinoline has a molecular weight of 287.50 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-6-nitroquinoline is sourced from PubChem (CID 170331788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).