5-(3-bromophenyl)-3-propan-2-yloxypyridazine

C13H13BrN2O — CID 11587400

IUPAC5-(3-bromophenyl)-3-propan-2-yloxypyridazine
SMILESCC(C)Oc1cc(-c2cccc(Br)c2)cnn1
InChIInChI=1S/C13H13BrN2O/c1-9(2)17-13-7-11(8-15-16-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3
InChIKeyQSBFNERLQPXCDQ-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.69
Rot. Bonds3

About 5-(3-bromophenyl)-3-propan-2-yloxypyridazine

5-(3-bromophenyl)-3-propan-2-yloxypyridazine (PubChem CID 11587400) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-propan-2-yloxypyridazine.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-propan-2-yloxypyridazine
PubChem CID11587400
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name5-(3-bromophenyl)-3-propan-2-yloxypyridazine
SMILESCC(C)Oc1cc(-c2cccc(Br)c2)cnn1
InChIInChI=1S/C13H13BrN2O/c1-9(2)17-13-7-11(8-15-16-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3
InChIKeyQSBFNERLQPXCDQ-UHFFFAOYSA-N
XLogP3.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3-bromophenyl)-3-propan-2-yloxypyridazine 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

5-(3-bromophenyl)-3-ethoxyPyridazine
CID 9970816
Credazine
CID 26715
3-Benzyloxy-5-(3-bromo-phenyl)-pyridazine
CID 11566319
3-(6-Ethoxy-pyridazin-4-yl)-benzonitrile
CID 11629964
5-(3-Bromo-phenyl)-3-methoxy-pyridazine
CID 11694609
6-Bromo-1-(2,2,2-trifluoro-1-methylethoxy)phthalazine
CID 25129833
5-Bromo-3-(2-methoxyphenyl)pyridazine
CID 117107079
3-[(4-Bromophenyl)methoxy]-6-fluoropyridazine
CID 139221072
5-Methyl-3-[(3-methylphenyl)methoxy]pyridazine
CID 121581549
3-(2-Bromo-6-tert-butylphenoxy)-6-fluoropyridazine
CID 22940180
Phthalazine, 6-bromo-1-(2,2,2-trifluoroethoxy)-
CID 59726030
3-Phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine
CID 129075141

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-propan-2-yloxypyridazine?
The IUPAC name of 5-(3-bromophenyl)-3-propan-2-yloxypyridazine (CID 11587400) is 5-(3-bromophenyl)-3-propan-2-yloxypyridazine.
What is the SMILES notation for 5-(3-bromophenyl)-3-propan-2-yloxypyridazine?
The canonical SMILES for 5-(3-bromophenyl)-3-propan-2-yloxypyridazine is CC(C)Oc1cc(-c2cccc(Br)c2)cnn1.
What is the InChIKey of 5-(3-bromophenyl)-3-propan-2-yloxypyridazine?
The InChIKey is QSBFNERLQPXCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9(2)17-13-7-11(8-15-16-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3.
What are the key properties of 5-(3-bromophenyl)-3-propan-2-yloxypyridazine?
5-(3-bromophenyl)-3-propan-2-yloxypyridazine has a molecular weight of 293.16 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-propan-2-yloxypyridazine is sourced from PubChem (CID 11587400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).