2-(2-bromoethyl)-1-nitronaphthalene

C12H10BrNO2 — CID 18370855

IUPAC2-(2-bromoethyl)-1-nitronaphthalene
SMILESO=[N+]([O-])c1c(CCBr)ccc2ccccc12
InChIInChI=1S/C12H10BrNO2/c13-8-7-10-6-5-9-3-1-2-4-11(9)12(10)14(15)16/h1-6H,7-8H2
InChIKeyXYOPVSGHIFPUAV-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.69
Rot. Bonds3

About 2-(2-bromoethyl)-1-nitronaphthalene

2-(2-bromoethyl)-1-nitronaphthalene (PubChem CID 18370855) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1-nitronaphthalene.

Molecular Properties

Compound Name2-(2-bromoethyl)-1-nitronaphthalene
PubChem CID18370855
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name2-(2-bromoethyl)-1-nitronaphthalene
SMILESO=[N+]([O-])c1c(CCBr)ccc2ccccc12
InChIInChI=1S/C12H10BrNO2/c13-8-7-10-6-5-9-3-1-2-4-11(9)12(10)14(15)16/h1-6H,7-8H2
InChIKeyXYOPVSGHIFPUAV-UHFFFAOYSA-N
XLogP3.69
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-(1-nitronaphthalen-2-yl)ethanol
CID 121008268
1-nitro-2-propylnaphthalene
CID 19077753
(1-nitronaphthalen-2-yl)methyl-triphenylphosphanium
CID 71338092
1-(2-bromoethyl)-3-chloro-2-nitrobenzene
CID 151932665
4-(1-nitronaphthalen-2-yl)-2-nitrosobutanoic acid
CID 57292960
methyl 2-hydroxyimino-4-(1-nitronaphthalen-2-yl)butanoate
CID 73432749
2-methylsulfanyl-1-nitronaphthalene
CID 13221798
N,N-dimethyl-1-nitronaphthalen-2-amine
CID 154584370
1-(1-nitronaphthalen-2-yl)ethanone
CID 167328369
benzyl 2-hydroxyimino-4-(1-nitronaphthalen-2-yl)butanoate
CID 73432758
1-(2-bromoethyl)naphthalene;hydrofluoride
CID 174588408
acetic acid;1-nitronaphthalen-2-amine
CID 22097140

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-1-nitronaphthalene?
The IUPAC name of 2-(2-bromoethyl)-1-nitronaphthalene (CID 18370855) is 2-(2-bromoethyl)-1-nitronaphthalene.
What is the SMILES notation for 2-(2-bromoethyl)-1-nitronaphthalene?
The canonical SMILES for 2-(2-bromoethyl)-1-nitronaphthalene is O=[N+]([O-])c1c(CCBr)ccc2ccccc12.
What is the InChIKey of 2-(2-bromoethyl)-1-nitronaphthalene?
The InChIKey is XYOPVSGHIFPUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c13-8-7-10-6-5-9-3-1-2-4-11(9)12(10)14(15)16/h1-6H,7-8H2.
What are the key properties of 2-(2-bromoethyl)-1-nitronaphthalene?
2-(2-bromoethyl)-1-nitronaphthalene has a molecular weight of 280.12 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1-nitronaphthalene is sourced from PubChem (CID 18370855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).