2-(3-azidoprop-1-enyl)-5-chlorophenol

C9H8ClN3O — CID 169461367

IUPAC2-(3-azidoprop-1-enyl)-5-chlorophenol
SMILES[N-]=[N+]=NCC=Cc1ccc(Cl)cc1O
InChIInChI=1S/C9H8ClN3O/c10-8-4-3-7(9(14)6-8)2-1-5-12-13-11/h1-4,6,14H,5H2
InChIKeyDOBCBBGPUQSXQZ-UHFFFAOYSA-N
MW209.64 g/mol
LogP3.37
Rot. Bonds3

About 2-(3-azidoprop-1-enyl)-5-chlorophenol

2-(3-azidoprop-1-enyl)-5-chlorophenol (PubChem CID 169461367) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 2-(3-azidoprop-1-enyl)-5-chlorophenol.

Molecular Properties

Compound Name2-(3-azidoprop-1-enyl)-5-chlorophenol
PubChem CID169461367
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name2-(3-azidoprop-1-enyl)-5-chlorophenol
SMILES[N-]=[N+]=NCC=Cc1ccc(Cl)cc1O
InChIInChI=1S/C9H8ClN3O/c10-8-4-3-7(9(14)6-8)2-1-5-12-13-11/h1-4,6,14H,5H2
InChIKeyDOBCBBGPUQSXQZ-UHFFFAOYSA-N
XLogP3.37
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 53.37
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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Related Compounds

4-amino-2-(3-azidoprop-1-enyl)phenol
CID 169461517
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate
CID 169462797
4-(3-azidoprop-1-enyl)-2,3-difluorophenol
CID 169461687
1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene
CID 169461587
3-(3-azidoprop-1-enyl)-4-fluoroaniline
CID 169461451
4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol
CID 169462758
3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid
CID 169462044
2-(4-azidobut-1-enyl)-5-chlorobenzoic acid
CID 170485519
3-(3-azidoprop-1-enyl)-4-chlorobenzonitrile
CID 169461741
2-(3-azidoprop-1-enyl)-6-methylphenol
CID 169461388

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoprop-1-enyl)-5-chlorophenol?
The IUPAC name of 2-(3-azidoprop-1-enyl)-5-chlorophenol (CID 169461367) is 2-(3-azidoprop-1-enyl)-5-chlorophenol.
What is the SMILES notation for 2-(3-azidoprop-1-enyl)-5-chlorophenol?
The canonical SMILES for 2-(3-azidoprop-1-enyl)-5-chlorophenol is [N-]=[N+]=NCC=Cc1ccc(Cl)cc1O.
What is the InChIKey of 2-(3-azidoprop-1-enyl)-5-chlorophenol?
The InChIKey is DOBCBBGPUQSXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-8-4-3-7(9(14)6-8)2-1-5-12-13-11/h1-4,6,14H,5H2.
What are the key properties of 2-(3-azidoprop-1-enyl)-5-chlorophenol?
2-(3-azidoprop-1-enyl)-5-chlorophenol has a molecular weight of 209.64 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidoprop-1-enyl)-5-chlorophenol is sourced from PubChem (CID 169461367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).