5-bromo-1-methyl-6-nitroquinolin-2-one

C10H7BrN2O3 — CID 118918728

IUPAC5-bromo-1-methyl-6-nitroquinolin-2-one
SMILESCn1c(=O)ccc2c(Br)c([N+](=O)[O-])ccc21
InChIInChI=1S/C10H7BrN2O3/c1-12-7-3-4-8(13(15)16)10(11)6(7)2-5-9(12)14/h2-5H,1H3
InChIKeyXYUSZJUURIATNP-UHFFFAOYSA-N
MW283.08 g/mol
LogP2.21
Rot. Bonds1

About 5-bromo-1-methyl-6-nitroquinolin-2-one

5-bromo-1-methyl-6-nitroquinolin-2-one (PubChem CID 118918728) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is 5-bromo-1-methyl-6-nitroquinolin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-6-nitroquinolin-2-one
PubChem CID118918728
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Name5-bromo-1-methyl-6-nitroquinolin-2-one
SMILESCn1c(=O)ccc2c(Br)c([N+](=O)[O-])ccc21
InChIInChI=1S/C10H7BrN2O3/c1-12-7-3-4-8(13(15)16)10(11)6(7)2-5-9(12)14/h2-5H,1H3
InChIKeyXYUSZJUURIATNP-UHFFFAOYSA-N
XLogP2.21
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-6-nitroquinolin-2-one?
The IUPAC name of 5-bromo-1-methyl-6-nitroquinolin-2-one (CID 118918728) is 5-bromo-1-methyl-6-nitroquinolin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-6-nitroquinolin-2-one?
The canonical SMILES for 5-bromo-1-methyl-6-nitroquinolin-2-one is Cn1c(=O)ccc2c(Br)c([N+](=O)[O-])ccc21.
What is the InChIKey of 5-bromo-1-methyl-6-nitroquinolin-2-one?
The InChIKey is XYUSZJUURIATNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c1-12-7-3-4-8(13(15)16)10(11)6(7)2-5-9(12)14/h2-5H,1H3.
What are the key properties of 5-bromo-1-methyl-6-nitroquinolin-2-one?
5-bromo-1-methyl-6-nitroquinolin-2-one has a molecular weight of 283.08 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-6-nitroquinolin-2-one is sourced from PubChem (CID 118918728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).