(1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol

C9H7Cl2N3O — CID 135021726

IUPAC(1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol
SMILES[N-]=[N+]=N[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O
InChIInChI=1S/C9H7Cl2N3O/c10-4-1-6-5(7(11)2-4)3-8(15)9(6)13-14-12/h1-2,8-9,15H,3H2/t8-,9-/m1/s1
InChIKeyAMOWTJQYDYXIME-RKDXNWHRSA-N
MW244.08 g/mol
LogP3.26
Rot. Bonds1

About (1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol

(1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol (PubChem CID 135021726) has the molecular formula C9H7Cl2N3O and a molecular weight of 244.08 g/mol. Its IUPAC name is (1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol
PubChem CID135021726
Molecular FormulaC9H7Cl2N3O
Molecular Weight244.08 g/mol
Exact Mass243.00
IUPAC Name(1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol
SMILES[N-]=[N+]=N[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O
InChIInChI=1S/C9H7Cl2N3O/c10-4-1-6-5(7(11)2-4)3-8(15)9(6)13-14-12/h1-2,8-9,15H,3H2/t8-,9-/m1/s1
InChIKeyAMOWTJQYDYXIME-RKDXNWHRSA-N
XLogP3.26
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 53.26
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 (1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol (CID 135021726) is (1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol is [N-]=[N+]=N[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O.
What is the InChIKey of (1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol?
The InChIKey is AMOWTJQYDYXIME-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H7Cl2N3O/c10-4-1-6-5(7(11)2-4)3-8(15)9(6)13-14-12/h1-2,8-9,15H,3H2/t8-,9-/m1/s1.
What are the key properties of (1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol?
(1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol has a molecular weight of 244.08 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-azido-4,6-dichloro-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 135021726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).