2-azido-1-(2-hydroxyphenyl)ethanone

C8H7N3O2 — CID 4017474

IUPAC2-azido-1-(2-hydroxyphenyl)ethanone
SMILES[N-]=[N+]=NCC(=O)c1ccccc1O
InChIInChI=1S/C8H7N3O2/c9-11-10-5-8(13)6-3-1-2-4-7(6)12/h1-4,12H,5H2
InChIKeyIIXQHEJFDFXVFN-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.89
Rot. Bonds3

About 2-azido-1-(2-hydroxyphenyl)ethanone

2-azido-1-(2-hydroxyphenyl)ethanone (PubChem CID 4017474) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-azido-1-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-azido-1-(2-hydroxyphenyl)ethanone
PubChem CID4017474
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-azido-1-(2-hydroxyphenyl)ethanone
SMILES[N-]=[N+]=NCC(=O)c1ccccc1O
InChIInChI=1S/C8H7N3O2/c9-11-10-5-8(13)6-3-1-2-4-7(6)12/h1-4,12H,5H2
InChIKeyIIXQHEJFDFXVFN-UHFFFAOYSA-N
XLogP1.89
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluorophenyl)ethanone
CID 53416484
2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone
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2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone
CID 54349012
2-azido-1-phenylethanone;ethane
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1,4-bis(2-hydroxyphenyl)butane-1,4-dione
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benzyl 5-(2-azidoacetyl)-2-hydroxybenzoate
CID 141013220
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CID 143075130
1-azido-3-phenylpropan-2-one
CID 14872260
2-azido-1-(5-chloro-2-methylphenyl)ethanone
CID 98883096
CID 11152344
CID 11152344
2-azido-1-pyridin-4-ylethanone
CID 98883069
bis(2-hydroxybenzoic acid);palladium(2+);diazide
CID 175699278

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(2-hydroxyphenyl)ethanone?
The IUPAC name of 2-azido-1-(2-hydroxyphenyl)ethanone (CID 4017474) is 2-azido-1-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-azido-1-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 2-azido-1-(2-hydroxyphenyl)ethanone is [N-]=[N+]=NCC(=O)c1ccccc1O.
What is the InChIKey of 2-azido-1-(2-hydroxyphenyl)ethanone?
The InChIKey is IIXQHEJFDFXVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-11-10-5-8(13)6-3-1-2-4-7(6)12/h1-4,12H,5H2.
What are the key properties of 2-azido-1-(2-hydroxyphenyl)ethanone?
2-azido-1-(2-hydroxyphenyl)ethanone has a molecular weight of 177.16 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 4017474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).