4-bromo-2-nitroquinoline

C9H5BrN2O2 — CID 150997000

IUPAC4-bromo-2-nitroquinoline
SMILESO=[N+]([O-])c1cc(Br)c2ccccc2n1
InChIInChI=1S/C9H5BrN2O2/c10-7-5-9(12(13)14)11-8-4-2-1-3-6(7)8/h1-5H
InChIKeyLTHPRARKMMUPSB-UHFFFAOYSA-N
MW253.06 g/mol
LogP2.91
Rot. Bonds1

About 4-bromo-2-nitroquinoline

4-bromo-2-nitroquinoline (PubChem CID 150997000) has the molecular formula C9H5BrN2O2 and a molecular weight of 253.06 g/mol. Its IUPAC name is 4-bromo-2-nitroquinoline.

Molecular Properties

Compound Name4-bromo-2-nitroquinoline
PubChem CID150997000
Molecular FormulaC9H5BrN2O2
Molecular Weight253.06 g/mol
Exact Mass251.95
IUPAC Name4-bromo-2-nitroquinoline
SMILESO=[N+]([O-])c1cc(Br)c2ccccc2n1
InChIInChI=1S/C9H5BrN2O2/c10-7-5-9(12(13)14)11-8-4-2-1-3-6(7)8/h1-5H
InChIKeyLTHPRARKMMUPSB-UHFFFAOYSA-N
XLogP2.91
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.06
LogP ≤ 52.91
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

2-nitro-4-(2-phenylethenyl)quinoline
CID 57009793
2,4-dibromoquinoline
CID 824608
2-nitro-N-pentylquinolin-4-amine
CID 67636563
1,3-dinitroisoquinoline
CID 87506157
morpholine;2-nitro-4-(2-phenylethenyl)quinoline
CID 174359410
2-nitro-4-phenyl-6-(trifluoromethyl)quinoline
CID 54105073
5-bromo-3-nitroisoquinoline
CID 18183529
4-chloro-2-methyl-3-nitroquinoline
CID 12673397
4-nitro-2-(trifluoromethyl)quinoline
CID 19034696
4-bromo-2-nitronaphthalen-1-ol
CID 11572534
3-nitroacridin-9-amine
CID 26592
N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine
CID 22693180

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-nitroquinoline?
The IUPAC name of 4-bromo-2-nitroquinoline (CID 150997000) is 4-bromo-2-nitroquinoline.
What is the SMILES notation for 4-bromo-2-nitroquinoline?
The canonical SMILES for 4-bromo-2-nitroquinoline is O=[N+]([O-])c1cc(Br)c2ccccc2n1.
What is the InChIKey of 4-bromo-2-nitroquinoline?
The InChIKey is LTHPRARKMMUPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O2/c10-7-5-9(12(13)14)11-8-4-2-1-3-6(7)8/h1-5H.
What are the key properties of 4-bromo-2-nitroquinoline?
4-bromo-2-nitroquinoline has a molecular weight of 253.06 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-nitroquinoline is sourced from PubChem (CID 150997000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).