5-bromo-4-methoxy-2-nitrosoaniline

C7H7BrN2O2 — CID 135217869

IUPAC5-bromo-4-methoxy-2-nitrosoaniline
SMILESCOc1cc(N=O)c(N)cc1Br
InChIInChI=1S/C7H7BrN2O2/c1-12-7-3-6(10-11)5(9)2-4(7)8/h2-3H,9H2,1H3
InChIKeyRHUODFGAOOTXMB-UHFFFAOYSA-N
MW231.05 g/mol
LogP2.44
Rot. Bonds2

About 5-bromo-4-methoxy-2-nitrosoaniline

5-bromo-4-methoxy-2-nitrosoaniline (PubChem CID 135217869) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-nitrosoaniline.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-nitrosoaniline
PubChem CID135217869
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name5-bromo-4-methoxy-2-nitrosoaniline
SMILESCOc1cc(N=O)c(N)cc1Br
InChIInChI=1S/C7H7BrN2O2/c1-12-7-3-6(10-11)5(9)2-4(7)8/h2-3H,9H2,1H3
InChIKeyRHUODFGAOOTXMB-UHFFFAOYSA-N
XLogP2.44
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,5-dibromo-2-isocyanato-4-methoxybenzene
CID 103416882
2,5-dibromo-4,7-dimethoxycyclohepta-2,4,6-trien-1-one
CID 14266950
CID 87277234
CID 87277234
5-bromo-4-chloro-2-methoxyaniline
CID 75537158
5-bromo-2-methoxy-4-phosphanylaniline
CID 170176312
2-amino-5-bromo-4-methoxy-N-methylbenzamide
CID 167259236
4-bromo-5-methoxy-2-methylbenzoyl chloride
CID 171004599
4-bromo-5-methoxy-2-methylbenzamide
CID 168987253
4-bromo-2-(2,5-dibromo-4-methoxyphenoxy)aniline
CID 79415483
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
4-bromo-5-methoxy-2-methylbenzenesulfonamide
CID 154254262
3-(4-amino-5-methoxy-2-nitrosophenyl)propanal
CID 89285647

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-nitrosoaniline?
The IUPAC name of 5-bromo-4-methoxy-2-nitrosoaniline (CID 135217869) is 5-bromo-4-methoxy-2-nitrosoaniline.
What is the SMILES notation for 5-bromo-4-methoxy-2-nitrosoaniline?
The canonical SMILES for 5-bromo-4-methoxy-2-nitrosoaniline is COc1cc(N=O)c(N)cc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-nitrosoaniline?
The InChIKey is RHUODFGAOOTXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c1-12-7-3-6(10-11)5(9)2-4(7)8/h2-3H,9H2,1H3.
What are the key properties of 5-bromo-4-methoxy-2-nitrosoaniline?
5-bromo-4-methoxy-2-nitrosoaniline has a molecular weight of 231.05 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-nitrosoaniline is sourced from PubChem (CID 135217869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).