(Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol

C9H8BrN3O — CID 101242057

IUPAC(Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol
SMILES[N-]=[N+]=N/C(=C\CO)c1ccc(Br)cc1
InChIInChI=1S/C9H8BrN3O/c10-8-3-1-7(2-4-8)9(5-6-14)12-13-11/h1-5,14H,6H2/b9-5-
InChIKeyHAYYKGWUAYIKFX-UITAMQMPSA-N
MW254.09 g/mol
LogP3.09
Rot. Bonds3

About (Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol

(Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol (PubChem CID 101242057) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is (Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol
PubChem CID101242057
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name(Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol
SMILES[N-]=[N+]=N/C(=C\CO)c1ccc(Br)cc1
InChIInChI=1S/C9H8BrN3O/c10-8-3-1-7(2-4-8)9(5-6-14)12-13-11/h1-5,14H,6H2/b9-5-
InChIKeyHAYYKGWUAYIKFX-UITAMQMPSA-N
XLogP3.09
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 53.09
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'}

Analyze (Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Azidoethenyl)-4-bromobenzene
CID 13128354
(Z)-3-azido-3-phenylprop-2-en-1-ol
CID 11469371
(E)-3-azido-3-phenylprop-2-en-1-ol
CID 162414746
3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazole
CID 90891793
4-(Azidomethyl)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazole
CID 91176762
(Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol
CID 154935906
(Z)-1-(4-bromophenyl)-2-hydroxy-2-methoxyethenediazonium
CID 11482228
3-Azido-3-phenylprop-2-en-1-ol
CID 71347567

Frequently Asked Questions

What is the IUPAC name of (Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol (CID 101242057) is (Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol is [N-]=[N+]=N/C(=C\CO)c1ccc(Br)cc1.
What is the InChIKey of (Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol?
The InChIKey is HAYYKGWUAYIKFX-UITAMQMPSA-N. The full InChI is InChI=1S/C9H8BrN3O/c10-8-3-1-7(2-4-8)9(5-6-14)12-13-11/h1-5,14H,6H2/b9-5-.
What are the key properties of (Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol?
(Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol has a molecular weight of 254.09 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol is sourced from PubChem (CID 101242057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).