[(2S)-2-azido-3-iodopropyl]benzene

C9H10IN3 — CID 102473029

IUPAC[(2S)-2-azido-3-iodopropyl]benzene
SMILES[N-]=[N+]=N[C@H](CI)Cc1ccccc1
InChIInChI=1S/C9H10IN3/c10-7-9(12-13-11)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m0/s1
InChIKeyGLIUBMYKXMYWRG-VIFPVBQESA-N
MW287.10 g/mol
LogP3.34
Rot. Bonds4

About [(2S)-2-azido-3-iodopropyl]benzene

[(2S)-2-azido-3-iodopropyl]benzene (PubChem CID 102473029) has the molecular formula C9H10IN3 and a molecular weight of 287.10 g/mol. Its IUPAC name is [(2S)-2-azido-3-iodopropyl]benzene.

Molecular Properties

Compound Name[(2S)-2-azido-3-iodopropyl]benzene
PubChem CID102473029
Molecular FormulaC9H10IN3
Molecular Weight287.10 g/mol
Exact Mass286.99
IUPAC Name[(2S)-2-azido-3-iodopropyl]benzene
SMILES[N-]=[N+]=N[C@H](CI)Cc1ccccc1
InChIInChI=1S/C9H10IN3/c10-7-9(12-13-11)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m0/s1
InChIKeyGLIUBMYKXMYWRG-VIFPVBQESA-N
XLogP3.34
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-azido-3,3-difluoropropyl)benzene
CID 151138482
(2-azido-3-phenylpropoxy)-tert-butyl-dimethylsilane
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[(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane
CID 154709006
3,4-diazidobutylbenzene
CID 151154204
[3-azido-2-(azidomethyl)propyl]benzene
CID 15477707
(3R)-3-azido-4-(4-chlorophenyl)butanoic acid
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(2S)-2-azido-3-phenylmethoxypropan-1-ol
CID 10632133
3-azido-6-phenylhexanoic acid
CID 139971707
(2S)-1-azido-3-phenylpropan-2-ol
CID 101111843
3-azidobutylbenzene
CID 11805255
(4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane
CID 10763096
phenyl 2-azido-3-phenylpropanoate
CID 75291356

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-azido-3-iodopropyl]benzene?
The IUPAC name of [(2S)-2-azido-3-iodopropyl]benzene (CID 102473029) is [(2S)-2-azido-3-iodopropyl]benzene.
What is the SMILES notation for [(2S)-2-azido-3-iodopropyl]benzene?
The canonical SMILES for [(2S)-2-azido-3-iodopropyl]benzene is [N-]=[N+]=N[C@H](CI)Cc1ccccc1.
What is the InChIKey of [(2S)-2-azido-3-iodopropyl]benzene?
The InChIKey is GLIUBMYKXMYWRG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10IN3/c10-7-9(12-13-11)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m0/s1.
What are the key properties of [(2S)-2-azido-3-iodopropyl]benzene?
[(2S)-2-azido-3-iodopropyl]benzene has a molecular weight of 287.10 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-azido-3-iodopropyl]benzene is sourced from PubChem (CID 102473029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).