5-bromo-2-ethyl-1-methoxy-3-nitrobenzene

C9H10BrNO3 — CID 158352726

IUPAC5-bromo-2-ethyl-1-methoxy-3-nitrobenzene
SMILESCCc1c(OC)cc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10BrNO3/c1-3-7-8(11(12)13)4-6(10)5-9(7)14-2/h4-5H,3H2,1-2H3
InChIKeyWEPAYHCLSWVAIQ-UHFFFAOYSA-N
MW260.09 g/mol
LogP2.93
Rot. Bonds3

About 5-bromo-2-ethyl-1-methoxy-3-nitrobenzene

5-bromo-2-ethyl-1-methoxy-3-nitrobenzene (PubChem CID 158352726) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 5-bromo-2-ethyl-1-methoxy-3-nitrobenzene.

Molecular Properties

Compound Name5-bromo-2-ethyl-1-methoxy-3-nitrobenzene
PubChem CID158352726
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name5-bromo-2-ethyl-1-methoxy-3-nitrobenzene
SMILESCCc1c(OC)cc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10BrNO3/c1-3-7-8(11(12)13)4-6(10)5-9(7)14-2/h4-5H,3H2,1-2H3
InChIKeyWEPAYHCLSWVAIQ-UHFFFAOYSA-N
XLogP2.93
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 52.93
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-(4-bromo-2-methoxy-6-nitrophenyl)-2-chloroethanone
CID 171007642
5-bromo-1-chloro-2-ethyl-3-methoxybenzene
CID 84707034
5-bromo-1-ethoxy-2-methoxy-3-nitrobenzene;methyl acetate
CID 174439392
(4-bromo-2-methyl-6-nitrophenyl)methanol
CID 118806075
5-bromo-1-(chloromethyl)-2-methoxy-3-nitrobenzene
CID 171007600
4-bromo-1,2-dimethoxybenzene;1-bromo-4,5-dimethoxy-2-nitrobenzene
CID 160559633
4-bromo-N-cyclohexyl-2-methoxy-6-nitroaniline
CID 118338125
5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine
CID 107667629
(2-bromo-6-methoxy-4-nitrophenyl)methanamine
CID 171019721
methyl 2-(4-bromo-2-cyano-6-nitrophenyl)acetate
CID 134635231
ethyl 2-(4-bromo-2-fluoro-6-nitrophenyl)acetate
CID 134633256
2-bromo-1-(5-bromo-2-methoxy-4-nitrophenyl)ethanone
CID 171007933

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-1-methoxy-3-nitrobenzene?
The IUPAC name of 5-bromo-2-ethyl-1-methoxy-3-nitrobenzene (CID 158352726) is 5-bromo-2-ethyl-1-methoxy-3-nitrobenzene.
What is the SMILES notation for 5-bromo-2-ethyl-1-methoxy-3-nitrobenzene?
The canonical SMILES for 5-bromo-2-ethyl-1-methoxy-3-nitrobenzene is CCc1c(OC)cc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-2-ethyl-1-methoxy-3-nitrobenzene?
The InChIKey is WEPAYHCLSWVAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-3-7-8(11(12)13)4-6(10)5-9(7)14-2/h4-5H,3H2,1-2H3.
What are the key properties of 5-bromo-2-ethyl-1-methoxy-3-nitrobenzene?
5-bromo-2-ethyl-1-methoxy-3-nitrobenzene has a molecular weight of 260.09 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-1-methoxy-3-nitrobenzene is sourced from PubChem (CID 158352726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).