3-azido-1-naphthalen-2-ylpropane-1,2-diol

C13H13N3O2 — CID 170826208

IUPAC3-azido-1-naphthalen-2-ylpropane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C13H13N3O2/c14-16-15-8-12(17)13(18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13,17-18H,8H2
InChIKeyOZLJCKATGQRFIX-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.54
Rot. Bonds4

About 3-azido-1-naphthalen-2-ylpropane-1,2-diol

3-azido-1-naphthalen-2-ylpropane-1,2-diol (PubChem CID 170826208) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-azido-1-naphthalen-2-ylpropane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-naphthalen-2-ylpropane-1,2-diol
PubChem CID170826208
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-azido-1-naphthalen-2-ylpropane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C13H13N3O2/c14-16-15-8-12(17)13(18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13,17-18H,8H2
InChIKeyOZLJCKATGQRFIX-UHFFFAOYSA-N
XLogP2.54
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
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'}

Analyze 3-azido-1-naphthalen-2-ylpropane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
CID 170826831
3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol
CID 170826793
3-azido-1-(1H-indazol-5-yl)propane-1,2-diol
CID 170826176
3-azido-1-(1H-indazol-6-yl)propane-1,2-diol
CID 170826184
5-(3-azido-1,2-dihydroxypropyl)-2-fluorobenzoic acid
CID 170826281
3-azido-1-[4-chloro-3-(chloromethyl)phenyl]propane-1,2-diol
CID 170825863
[2-amino-5-(3-azido-1,2-dihydroxypropyl)phenyl]-phenylmethanone
CID 170827062
4-bromo-1-naphthalen-2-ylbutane-1,2-diol
CID 171892195
3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol
CID 170825964
6-(3-azido-1,2-dihydroxypropyl)-3H-2-benzofuran-1-one
CID 170826212
3,4-dihydroxy-4-naphthalen-2-ylbutanenitrile
CID 171901152
3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol
CID 170826792

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-naphthalen-2-ylpropane-1,2-diol?
The IUPAC name of 3-azido-1-naphthalen-2-ylpropane-1,2-diol (CID 170826208) is 3-azido-1-naphthalen-2-ylpropane-1,2-diol.
What is the SMILES notation for 3-azido-1-naphthalen-2-ylpropane-1,2-diol?
The canonical SMILES for 3-azido-1-naphthalen-2-ylpropane-1,2-diol is [N-]=[N+]=NCC(O)C(O)c1ccc2ccccc2c1.
What is the InChIKey of 3-azido-1-naphthalen-2-ylpropane-1,2-diol?
The InChIKey is OZLJCKATGQRFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-16-15-8-12(17)13(18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13,17-18H,8H2.
What are the key properties of 3-azido-1-naphthalen-2-ylpropane-1,2-diol?
3-azido-1-naphthalen-2-ylpropane-1,2-diol has a molecular weight of 243.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-naphthalen-2-ylpropane-1,2-diol is sourced from PubChem (CID 170826208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).