6-bromo-8-methyl-3-nitroquinoline

C10H7BrN2O2 — CID 119085199

IUPAC6-bromo-8-methyl-3-nitroquinoline
SMILESCc1cc(Br)cc2cc([N+](=O)[O-])cnc12
InChIInChI=1S/C10H7BrN2O2/c1-6-2-8(11)3-7-4-9(13(14)15)5-12-10(6)7/h2-5H,1H3
InChIKeyUIGWLEKHEJKVED-UHFFFAOYSA-N
MW267.08 g/mol
LogP3.21
Rot. Bonds1

About 6-bromo-8-methyl-3-nitroquinoline

6-bromo-8-methyl-3-nitroquinoline (PubChem CID 119085199) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 6-bromo-8-methyl-3-nitroquinoline.

Molecular Properties

Compound Name6-bromo-8-methyl-3-nitroquinoline
PubChem CID119085199
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name6-bromo-8-methyl-3-nitroquinoline
SMILESCc1cc(Br)cc2cc([N+](=O)[O-])cnc12
InChIInChI=1S/C10H7BrN2O2/c1-6-2-8(11)3-7-4-9(13(14)15)5-12-10(6)7/h2-5H,1H3
InChIKeyUIGWLEKHEJKVED-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

N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine
CID 4764031
2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine
CID 44613613
2-bromo-4-methyl-6-nitro-1,3-benzothiazole
CID 167154176
2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
CID 114046469
4-(4-bromo-2-methyl-6-nitrophenoxy)-5-chloropyrimidin-2-amine
CID 80878479
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine
CID 62475881
N-(3,5-dimethylphenyl)-3,5-dinitropyridin-2-amine
CID 2858015
2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline
CID 12524049
3-tert-butyl-2-chloro-8-methyl-6-nitroquinoline
CID 63382509
7-chloro-3-nitro-8-(trichloromethyl)quinoline
CID 141314818
2-bromo-3-ethoxy-5-nitropyridine
CID 119000292
5-methyl-3-nitroquinoline
CID 119082281

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-3-nitroquinoline?
The IUPAC name of 6-bromo-8-methyl-3-nitroquinoline (CID 119085199) is 6-bromo-8-methyl-3-nitroquinoline.
What is the SMILES notation for 6-bromo-8-methyl-3-nitroquinoline?
The canonical SMILES for 6-bromo-8-methyl-3-nitroquinoline is Cc1cc(Br)cc2cc([N+](=O)[O-])cnc12.
What is the InChIKey of 6-bromo-8-methyl-3-nitroquinoline?
The InChIKey is UIGWLEKHEJKVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c1-6-2-8(11)3-7-4-9(13(14)15)5-12-10(6)7/h2-5H,1H3.
What are the key properties of 6-bromo-8-methyl-3-nitroquinoline?
6-bromo-8-methyl-3-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 6-bromo-8-methyl-3-nitroquinoline is sourced from PubChem (CID 119085199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).