2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone

C12H9N3O2 — CID 53416479

IUPAC2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone
SMILES[N-]=[N+]=NCC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C12H9N3O2/c13-15-14-7-11(16)10-6-5-8-3-1-2-4-9(8)12(10)17/h1-6,17H,7H2
InChIKeyAOAZNWFLWCVRMF-UHFFFAOYSA-N
MW227.22 g/mol
LogP3.04
Rot. Bonds3

About 2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone

2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone (PubChem CID 53416479) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone
PubChem CID53416479
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone
SMILES[N-]=[N+]=NCC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C12H9N3O2/c13-15-14-7-11(16)10-6-5-8-3-1-2-4-9(8)12(10)17/h1-6,17H,7H2
InChIKeyAOAZNWFLWCVRMF-UHFFFAOYSA-N
XLogP3.04
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 53.04
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-hydroxyphenyl)ethanone
CID 4017474
2-azido-1-(2-fluorophenyl)ethanone
CID 53416484
1-(1-hydroxynaphthalen-2-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 939829
calcium bis(1-hydroxynaphthalene-2-carboxylate)
CID 139716025
2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone
CID 54349012
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
2-azido-1-phenylethanone;ethane
CID 90958641
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
CID 174494917
2-(azidomethyl)anthracen-9-ol
CID 91243146
1-[4-(dimethylamino)phenyl]-3-(1-hydroxynaphthalen-2-yl)propane-1,3-dione
CID 170903130
2-(C,N-dimethylcarbonimidoyl)naphthalen-1-ol
CID 135790005
2-hydroxy-N-[(Z)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135887717

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone?
The IUPAC name of 2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone (CID 53416479) is 2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone?
The canonical SMILES for 2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone is [N-]=[N+]=NCC(=O)c1ccc2ccccc2c1O.
What is the InChIKey of 2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone?
The InChIKey is AOAZNWFLWCVRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-15-14-7-11(16)10-6-5-8-3-1-2-4-9(8)12(10)17/h1-6,17H,7H2.
What are the key properties of 2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone?
2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone has a molecular weight of 227.22 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 53416479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).