(2S)-1-azido-2-(2-chlorophenyl)propan-2-ol

C9H10ClN3O — CID 70910200

IUPAC(2S)-1-azido-2-(2-chlorophenyl)propan-2-ol
SMILESC[C@@](O)(CN=[N+]=[N-])c1ccccc1Cl
InChIInChI=1S/C9H10ClN3O/c1-9(14,6-12-13-11)7-4-2-3-5-8(7)10/h2-5,14H,6H2,1H3/t9-/m1/s1
InChIKeyWOJJHNDWQHABLQ-SECBINFHSA-N
MW211.65 g/mol
LogP2.86
Rot. Bonds3

About (2S)-1-azido-2-(2-chlorophenyl)propan-2-ol

(2S)-1-azido-2-(2-chlorophenyl)propan-2-ol (PubChem CID 70910200) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is (2S)-1-azido-2-(2-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-azido-2-(2-chlorophenyl)propan-2-ol
PubChem CID70910200
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name(2S)-1-azido-2-(2-chlorophenyl)propan-2-ol
SMILESC[C@@](O)(CN=[N+]=[N-])c1ccccc1Cl
InChIInChI=1S/C9H10ClN3O/c1-9(14,6-12-13-11)7-4-2-3-5-8(7)10/h2-5,14H,6H2,1H3/t9-/m1/s1
InChIKeyWOJJHNDWQHABLQ-SECBINFHSA-N
XLogP2.86
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.86
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 (2S)-1-azido-2-(2-chlorophenyl)propan-2-ol?
The IUPAC name of (2S)-1-azido-2-(2-chlorophenyl)propan-2-ol (CID 70910200) is (2S)-1-azido-2-(2-chlorophenyl)propan-2-ol.
What is the SMILES notation for (2S)-1-azido-2-(2-chlorophenyl)propan-2-ol?
The canonical SMILES for (2S)-1-azido-2-(2-chlorophenyl)propan-2-ol is C[C@@](O)(CN=[N+]=[N-])c1ccccc1Cl.
What is the InChIKey of (2S)-1-azido-2-(2-chlorophenyl)propan-2-ol?
The InChIKey is WOJJHNDWQHABLQ-SECBINFHSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-9(14,6-12-13-11)7-4-2-3-5-8(7)10/h2-5,14H,6H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-1-azido-2-(2-chlorophenyl)propan-2-ol?
(2S)-1-azido-2-(2-chlorophenyl)propan-2-ol has a molecular weight of 211.65 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-azido-2-(2-chlorophenyl)propan-2-ol is sourced from PubChem (CID 70910200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).