2-azido-1-(2-bromophenyl)ethanol

C8H8BrN3O — CID 57429240

IUPAC2-azido-1-(2-bromophenyl)ethanol
SMILES[N-]=[N+]=NCC(O)c1ccccc1Br
InChIInChI=1S/C8H8BrN3O/c9-7-4-2-1-3-6(7)8(13)5-11-12-10/h1-4,8,13H,5H2
InChIKeyAOQXXCGDRSKABO-UHFFFAOYSA-N
MW242.08 g/mol
LogP2.79
Rot. Bonds3

About 2-azido-1-(2-bromophenyl)ethanol

2-azido-1-(2-bromophenyl)ethanol (PubChem CID 57429240) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is 2-azido-1-(2-bromophenyl)ethanol.

Molecular Properties

Compound Name2-azido-1-(2-bromophenyl)ethanol
PubChem CID57429240
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name2-azido-1-(2-bromophenyl)ethanol
SMILES[N-]=[N+]=NCC(O)c1ccccc1Br
InChIInChI=1S/C8H8BrN3O/c9-7-4-2-1-3-6(7)8(13)5-11-12-10/h1-4,8,13H,5H2
InChIKeyAOQXXCGDRSKABO-UHFFFAOYSA-N
XLogP2.79
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 52.79
H-Bond Donors ≤ 51
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

2-azido-1-(2-chlorophenyl)ethanol
CID 86674103
(1R)-2-azido-1-(4-phenylphenyl)ethanol
CID 83092866
3-azido-1-(2-bromo-3-pyridinyl)propane-1,2-diol
CID 170827081
(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol
CID 165492310
(2S)-1-azido-3-phenylpropan-2-ol
CID 101111843
methyl N-[N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N-methoxycarbonylcarbamimidoyl]carbamate
CID 70608448
(1S)-2-azido-1-(3-chlorophenyl)ethanol
CID 59761679
1-(2-bromophenyl)-2-(4-iodophenyl)ethanol
CID 65476845
(2-azido-1-bromoethyl)benzene
CID 24972616
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol
CID 82380657

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(2-bromophenyl)ethanol?
The IUPAC name of 2-azido-1-(2-bromophenyl)ethanol (CID 57429240) is 2-azido-1-(2-bromophenyl)ethanol.
What is the SMILES notation for 2-azido-1-(2-bromophenyl)ethanol?
The canonical SMILES for 2-azido-1-(2-bromophenyl)ethanol is [N-]=[N+]=NCC(O)c1ccccc1Br.
What is the InChIKey of 2-azido-1-(2-bromophenyl)ethanol?
The InChIKey is AOQXXCGDRSKABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c9-7-4-2-1-3-6(7)8(13)5-11-12-10/h1-4,8,13H,5H2.
What are the key properties of 2-azido-1-(2-bromophenyl)ethanol?
2-azido-1-(2-bromophenyl)ethanol has a molecular weight of 242.08 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(2-bromophenyl)ethanol is sourced from PubChem (CID 57429240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).