2-(2-azidoethyl)-1-bromo-3-methoxybenzene

C9H10BrN3O — CID 151383343

IUPAC2-(2-azidoethyl)-1-bromo-3-methoxybenzene
SMILESCOc1cccc(Br)c1CCN=[N+]=[N-]
InChIInChI=1S/C9H10BrN3O/c1-14-9-4-2-3-8(10)7(9)5-6-12-13-11/h2-4H,5-6H2,1H3
InChIKeyOSWPXCTZNVCHOG-UHFFFAOYSA-N
MW256.10 g/mol
LogP3.31
Rot. Bonds4

About 2-(2-azidoethyl)-1-bromo-3-methoxybenzene

2-(2-azidoethyl)-1-bromo-3-methoxybenzene (PubChem CID 151383343) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 2-(2-azidoethyl)-1-bromo-3-methoxybenzene.

Molecular Properties

Compound Name2-(2-azidoethyl)-1-bromo-3-methoxybenzene
PubChem CID151383343
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name2-(2-azidoethyl)-1-bromo-3-methoxybenzene
SMILESCOc1cccc(Br)c1CCN=[N+]=[N-]
InChIInChI=1S/C9H10BrN3O/c1-14-9-4-2-3-8(10)7(9)5-6-12-13-11/h2-4H,5-6H2,1H3
InChIKeyOSWPXCTZNVCHOG-UHFFFAOYSA-N
XLogP3.31
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(2-azidoethyl)-2,3-dimethoxybenzene
CID 150478771
1-bromo-2-(isocyanatomethyl)-3-methoxybenzene
CID 117356821
(2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine
CID 130691963
1-bromo-3-(3-bromo-2-propylphenoxy)-2-propylbenzene
CID 172704493
1-(azidomethyl)-2-methoxybenzene
CID 11263685
(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol
CID 165492310
1,2-dibromo-3-methoxybenzene
CID 11958056
N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine
CID 171934444
4-(2-azidoethyl)-2-methoxyphenol;methane
CID 167709362
1-(2-azidoethyl)-2-ethoxybenzene
CID 150018068
1-bromo-3-methoxy-2-methylbenzene
CID 18505255
1-(2-azidoethoxy)-2-bromo-4-methoxybenzene
CID 104708216

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethyl)-1-bromo-3-methoxybenzene?
The IUPAC name of 2-(2-azidoethyl)-1-bromo-3-methoxybenzene (CID 151383343) is 2-(2-azidoethyl)-1-bromo-3-methoxybenzene.
What is the SMILES notation for 2-(2-azidoethyl)-1-bromo-3-methoxybenzene?
The canonical SMILES for 2-(2-azidoethyl)-1-bromo-3-methoxybenzene is COc1cccc(Br)c1CCN=[N+]=[N-].
What is the InChIKey of 2-(2-azidoethyl)-1-bromo-3-methoxybenzene?
The InChIKey is OSWPXCTZNVCHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c1-14-9-4-2-3-8(10)7(9)5-6-12-13-11/h2-4H,5-6H2,1H3.
What are the key properties of 2-(2-azidoethyl)-1-bromo-3-methoxybenzene?
2-(2-azidoethyl)-1-bromo-3-methoxybenzene has a molecular weight of 256.10 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethyl)-1-bromo-3-methoxybenzene is sourced from PubChem (CID 151383343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).