3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine

C15H10BrClN2O — CID 61268643

IUPAC3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine
SMILESClCc1ccc(Oc2ccc3ccccc3c2Br)nn1
InChIInChI=1S/C15H10BrClN2O/c16-15-12-4-2-1-3-10(12)5-7-13(15)20-14-8-6-11(9-17)18-19-14/h1-8H,9H2
InChIKeySUTSGIDLTJPNJG-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.92
Rot. Bonds3

About 3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine

3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine (PubChem CID 61268643) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine.

Molecular Properties

Compound Name3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine
PubChem CID61268643
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine
SMILESClCc1ccc(Oc2ccc3ccccc3c2Br)nn1
InChIInChI=1S/C15H10BrClN2O/c16-15-12-4-2-1-3-10(12)5-7-13(15)20-14-8-6-11(9-17)18-19-14/h1-8H,9H2
InChIKeySUTSGIDLTJPNJG-UHFFFAOYSA-N
XLogP4.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-5-(chloromethyl)-1,3,4-thiadiazole
CID 80617745
6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine
CID 54910912
3-(4-bromo-2-propan-2-ylphenoxy)-6-(chloromethyl)pyridazine
CID 113303012
4-(1-bromonaphthalen-2-yl)oxypyrimidine
CID 61252042
2-[2-(1-bromonaphthalen-2-yl)oxyethyl]-4-(chloromethyl)-1,3-thiazole
CID 63549535
3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine
CID 61268428
4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine
CID 80909311
6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine
CID 80866646
3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine
CID 61268607
2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine
CID 102749474
3-chloro-6-naphthalen-1-yloxypyridazine
CID 54915223
[2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol
CID 114846123

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine?
The IUPAC name of 3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine (CID 61268643) is 3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine.
What is the SMILES notation for 3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine?
The canonical SMILES for 3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine is ClCc1ccc(Oc2ccc3ccccc3c2Br)nn1.
What is the InChIKey of 3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine?
The InChIKey is SUTSGIDLTJPNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-15-12-4-2-1-3-10(12)5-7-13(15)20-14-8-6-11(9-17)18-19-14/h1-8H,9H2.
What are the key properties of 3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine?
3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine has a molecular weight of 349.62 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine is sourced from PubChem (CID 61268643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).