3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine

C11H8BrClN2O2 — CID 87574590

IUPAC3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine
SMILESCOc1ccc(Oc2ccc(Cl)nn2)cc1Br
InChIInChI=1S/C11H8BrClN2O2/c1-16-9-3-2-7(6-8(9)12)17-11-5-4-10(13)14-15-11/h2-6H,1H3
InChIKeyNHCXSXNGPSFLAH-UHFFFAOYSA-N
MW315.55 g/mol
LogP3.69
Rot. Bonds3

About 3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine

3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine (PubChem CID 87574590) has the molecular formula C11H8BrClN2O2 and a molecular weight of 315.55 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine
PubChem CID87574590
Molecular FormulaC11H8BrClN2O2
Molecular Weight315.55 g/mol
Exact Mass313.95
IUPAC Name3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine
SMILESCOc1ccc(Oc2ccc(Cl)nn2)cc1Br
InChIInChI=1S/C11H8BrClN2O2/c1-16-9-3-2-7(6-8(9)12)17-11-5-4-10(13)14-15-11/h2-6H,1H3
InChIKeyNHCXSXNGPSFLAH-UHFFFAOYSA-N
XLogP3.69
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine
CID 79416501
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine
CID 102714042
3-chloro-6-(3-methoxyphenoxy)pyridazine
CID 13321729
4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine
CID 22712081
[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine
CID 104708330
3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine
CID 87882017
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
3-chloro-6-[4-chloro-3-(trifluoromethyl)phenoxy]pyridazine
CID 154125386
3-chloro-6-(3-methylsulfonylphenoxy)pyridazine
CID 54915361
3-chloro-6-(4-propoxyphenoxy)pyridazine
CID 60674904
3-(6-chloropyridazin-3-yl)oxybenzaldehyde
CID 50878106
3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline
CID 130155682

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine?
The IUPAC name of 3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine (CID 87574590) is 3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine?
The canonical SMILES for 3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine is COc1ccc(Oc2ccc(Cl)nn2)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine?
The InChIKey is NHCXSXNGPSFLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O2/c1-16-9-3-2-7(6-8(9)12)17-11-5-4-10(13)14-15-11/h2-6H,1H3.
What are the key properties of 3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine?
3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine has a molecular weight of 315.55 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine is sourced from PubChem (CID 87574590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).