2-azido-1-(2-chlorophenyl)ethanol

C8H8ClN3O — CID 86674103

IUPAC2-azido-1-(2-chlorophenyl)ethanol
SMILES[N-]=[N+]=NCC(O)c1ccccc1Cl
InChIInChI=1S/C8H8ClN3O/c9-7-4-2-1-3-6(7)8(13)5-11-12-10/h1-4,8,13H,5H2
InChIKeyFOCQIMBAIBIBSY-UHFFFAOYSA-N
MW197.63 g/mol
LogP2.68
Rot. Bonds3

About 2-azido-1-(2-chlorophenyl)ethanol

2-azido-1-(2-chlorophenyl)ethanol (PubChem CID 86674103) has the molecular formula C8H8ClN3O and a molecular weight of 197.63 g/mol. Its IUPAC name is 2-azido-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-azido-1-(2-chlorophenyl)ethanol
PubChem CID86674103
Molecular FormulaC8H8ClN3O
Molecular Weight197.63 g/mol
Exact Mass197.04
IUPAC Name2-azido-1-(2-chlorophenyl)ethanol
SMILES[N-]=[N+]=NCC(O)c1ccccc1Cl
InChIInChI=1S/C8H8ClN3O/c9-7-4-2-1-3-6(7)8(13)5-11-12-10/h1-4,8,13H,5H2
InChIKeyFOCQIMBAIBIBSY-UHFFFAOYSA-N
XLogP2.68
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.63
LogP ≤ 52.68
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

2-azido-1-(2-bromophenyl)ethanol
CID 57429240
(1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol
CID 165499072
(1R)-2-bromo-1-(2-chlorophenyl)ethanol
CID 25324199
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
(1R)-2-azido-1-(4-phenylphenyl)ethanol
CID 83092866
N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62983621
(1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol
CID 83093429
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine
CID 111456543
(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
2-azido-1-(3-fluorophenyl)ethanol
CID 83093254

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-azido-1-(2-chlorophenyl)ethanol (CID 86674103) is 2-azido-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-azido-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-azido-1-(2-chlorophenyl)ethanol is [N-]=[N+]=NCC(O)c1ccccc1Cl.
What is the InChIKey of 2-azido-1-(2-chlorophenyl)ethanol?
The InChIKey is FOCQIMBAIBIBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c9-7-4-2-1-3-6(7)8(13)5-11-12-10/h1-4,8,13H,5H2.
What are the key properties of 2-azido-1-(2-chlorophenyl)ethanol?
2-azido-1-(2-chlorophenyl)ethanol has a molecular weight of 197.63 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(2-chlorophenyl)ethanol is sourced from PubChem (CID 86674103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).