(2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol

C10H11N3O — CID 15637840

IUPAC(2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol
SMILES[N-]=[N+]=N[C@@H]1Cc2ccccc2C[C@H]1O
InChIInChI=1S/C10H11N3O/c11-13-12-9-5-7-3-1-2-4-8(7)6-10(9)14/h1-4,9-10,14H,5-6H2/t9-,10-/m1/s1
InChIKeyOUHZFBNDUIDHPG-NXEZZACHSA-N
MW189.22 g/mol
LogP1.83
Rot. Bonds1

About (2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol

(2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 15637840) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID15637840
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol
SMILES[N-]=[N+]=N[C@@H]1Cc2ccccc2C[C@H]1O
InChIInChI=1S/C10H11N3O/c11-13-12-9-5-7-3-1-2-4-8(7)6-10(9)14/h1-4,9-10,14H,5-6H2/t9-,10-/m1/s1
InChIKeyOUHZFBNDUIDHPG-NXEZZACHSA-N
XLogP1.83
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol (CID 15637840) is (2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol is [N-]=[N+]=N[C@@H]1Cc2ccccc2C[C@H]1O.
What is the InChIKey of (2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is OUHZFBNDUIDHPG-NXEZZACHSA-N. The full InChI is InChI=1S/C10H11N3O/c11-13-12-9-5-7-3-1-2-4-8(7)6-10(9)14/h1-4,9-10,14H,5-6H2/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 189.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 15637840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).