5-bromo-8-methyl-6-nitroquinoline

C10H7BrN2O2 — CID 11207866

IUPAC5-bromo-8-methyl-6-nitroquinoline
SMILESCc1cc([N+](=O)[O-])c(Br)c2cccnc12
InChIInChI=1S/C10H7BrN2O2/c1-6-5-8(13(14)15)9(11)7-3-2-4-12-10(6)7/h2-5H,1H3
InChIKeyBZYROTVZNNQRQZ-UHFFFAOYSA-N
MW267.08 g/mol
LogP3.21
Rot. Bonds1

About 5-bromo-8-methyl-6-nitroquinoline

5-bromo-8-methyl-6-nitroquinoline (PubChem CID 11207866) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 5-bromo-8-methyl-6-nitroquinoline.

Molecular Properties

Compound Name5-bromo-8-methyl-6-nitroquinoline
PubChem CID11207866
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name5-bromo-8-methyl-6-nitroquinoline
SMILESCc1cc([N+](=O)[O-])c(Br)c2cccnc12
InChIInChI=1S/C10H7BrN2O2/c1-6-5-8(13(14)15)9(11)7-3-2-4-12-10(6)7/h2-5H,1H3
InChIKeyBZYROTVZNNQRQZ-UHFFFAOYSA-N
XLogP3.21
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 53.21
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

1-bromo-2-methyl-4-nitronaphthalene
CID 121218286
7-methyl-5-nitroquinoline
CID 137347294
7-bromo-5-nitroquinolin-8-ol
CID 14125599
8-bromo-4-methyl-3-nitroquinoline
CID 131886009
8-(3-methylbutan-2-ylsulfanyl)-5-nitroquinoline
CID 133428141
5-fluoro-8-methoxy-7-nitroquinoline
CID 166150140
N,N-diethyl-5-nitroquinolin-8-amine
CID 2843950
8-(2-bromopropyl)-5-nitroquinoline
CID 63202831
5-methylsulfanyl-8-nitroquinoline
CID 75480915
4-chloro-5,8-dimethyl-6-nitroquinoline
CID 10537819
dichloropalladium;5-nitro-1,10-phenanthroline
CID 5030888
5-methyl-7-nitroquinoline
CID 825902

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methyl-6-nitroquinoline?
The IUPAC name of 5-bromo-8-methyl-6-nitroquinoline (CID 11207866) is 5-bromo-8-methyl-6-nitroquinoline.
What is the SMILES notation for 5-bromo-8-methyl-6-nitroquinoline?
The canonical SMILES for 5-bromo-8-methyl-6-nitroquinoline is Cc1cc([N+](=O)[O-])c(Br)c2cccnc12.
What is the InChIKey of 5-bromo-8-methyl-6-nitroquinoline?
The InChIKey is BZYROTVZNNQRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c1-6-5-8(13(14)15)9(11)7-3-2-4-12-10(6)7/h2-5H,1H3.
What are the key properties of 5-bromo-8-methyl-6-nitroquinoline?
5-bromo-8-methyl-6-nitroquinoline has a molecular weight of 267.08 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methyl-6-nitroquinoline is sourced from PubChem (CID 11207866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).