5-(3-bromophenyl)-3-prop-2-enoxypyridazine

C13H11BrN2O — CID 67484800

IUPAC5-(3-bromophenyl)-3-prop-2-enoxypyridazine
SMILESC=CCOc1cc(-c2cccc(Br)c2)cnn1
InChIInChI=1S/C13H11BrN2O/c1-2-6-17-13-8-11(9-15-16-13)10-4-3-5-12(14)7-10/h2-5,7-9H,1,6H2
InChIKeyYDXWFFCDJZDAPS-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.47
Rot. Bonds4

About 5-(3-bromophenyl)-3-prop-2-enoxypyridazine

5-(3-bromophenyl)-3-prop-2-enoxypyridazine (PubChem CID 67484800) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-prop-2-enoxypyridazine.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-prop-2-enoxypyridazine
PubChem CID67484800
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name5-(3-bromophenyl)-3-prop-2-enoxypyridazine
SMILESC=CCOc1cc(-c2cccc(Br)c2)cnn1
InChIInChI=1S/C13H11BrN2O/c1-2-6-17-13-8-11(9-15-16-13)10-4-3-5-12(14)7-10/h2-5,7-9H,1,6H2
InChIKeyYDXWFFCDJZDAPS-UHFFFAOYSA-N
XLogP3.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-(3-bromophenyl)-3-prop-2-enoxypyridazine 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

3-hexoxy-5-(3-hexoxyphenyl)pyridazine
CID 19103412
1-bromo-3-phenylbenzene
CID 16449
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
(4Z)-2-(3-bromophenyl)-4-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19669676
1-bromo-3-phenylbenzene;ethane
CID 163977967
lithium;1-bromo-3-phenylbenzene;hydride
CID 174710414
2-phenyl-6-prop-2-enoxypyridine
CID 3537751
3-(3-bromophenyl)-1,2,4-triazin-5-amine
CID 83547754
1-bromo-3-(3-bromophenyl)-5-phenylbenzene
CID 90126090
1-bromo-3-hex-5-enoxybenzene
CID 146004224
3-(3-bromophenyl)-5-(chloromethyl)pyridine
CID 165454262
2-(3-bromophenyl)pyrimidine
CID 26967381

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-prop-2-enoxypyridazine?
The IUPAC name of 5-(3-bromophenyl)-3-prop-2-enoxypyridazine (CID 67484800) is 5-(3-bromophenyl)-3-prop-2-enoxypyridazine.
What is the SMILES notation for 5-(3-bromophenyl)-3-prop-2-enoxypyridazine?
The canonical SMILES for 5-(3-bromophenyl)-3-prop-2-enoxypyridazine is C=CCOc1cc(-c2cccc(Br)c2)cnn1.
What is the InChIKey of 5-(3-bromophenyl)-3-prop-2-enoxypyridazine?
The InChIKey is YDXWFFCDJZDAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-2-6-17-13-8-11(9-15-16-13)10-4-3-5-12(14)7-10/h2-5,7-9H,1,6H2.
What are the key properties of 5-(3-bromophenyl)-3-prop-2-enoxypyridazine?
5-(3-bromophenyl)-3-prop-2-enoxypyridazine has a molecular weight of 291.15 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-prop-2-enoxypyridazine is sourced from PubChem (CID 67484800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).