(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol

C9H9N3O2 — CID 167482973

IUPAC(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol
SMILES[N-]=[N+]=N[C@H]1c2ccccc2OC[C@@H]1O
InChIInChI=1S/C9H9N3O2/c10-12-11-9-6-3-1-2-4-8(6)14-5-7(9)13/h1-4,7,9,13H,5H2/t7-,9-/m0/s1
InChIKeyGVZIVUKIDQYGLV-CBAPKCEASA-N
MW191.19 g/mol
LogP1.79
Rot. Bonds1

About (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol

(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol (PubChem CID 167482973) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol
PubChem CID167482973
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol
SMILES[N-]=[N+]=N[C@H]1c2ccccc2OC[C@@H]1O
InChIInChI=1S/C9H9N3O2/c10-12-11-9-6-3-1-2-4-8(6)14-5-7(9)13/h1-4,7,9,13H,5H2/t7-,9-/m0/s1
InChIKeyGVZIVUKIDQYGLV-CBAPKCEASA-N
XLogP1.79
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.79
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'}

Analyze (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol (CID 167482973) is (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol is [N-]=[N+]=N[C@H]1c2ccccc2OC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is GVZIVUKIDQYGLV-CBAPKCEASA-N. The full InChI is InChI=1S/C9H9N3O2/c10-12-11-9-6-3-1-2-4-8(6)14-5-7(9)13/h1-4,7,9,13H,5H2/t7-,9-/m0/s1.
What are the key properties of (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol?
(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 191.19 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 167482973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).