3-(4-bromo-3-methylphenoxy)-5-methylpyridazine

C12H11BrN2O — CID 106549380

IUPAC3-(4-bromo-3-methylphenoxy)-5-methylpyridazine
SMILESCc1cnnc(Oc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C12H11BrN2O/c1-8-5-12(15-14-7-8)16-10-3-4-11(13)9(2)6-10/h3-7H,1-2H3
InChIKeyLPVXWGWMKVDXMG-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.65
Rot. Bonds2

About 3-(4-bromo-3-methylphenoxy)-5-methylpyridazine

3-(4-bromo-3-methylphenoxy)-5-methylpyridazine (PubChem CID 106549380) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenoxy)-5-methylpyridazine.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenoxy)-5-methylpyridazine
PubChem CID106549380
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name3-(4-bromo-3-methylphenoxy)-5-methylpyridazine
SMILESCc1cnnc(Oc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C12H11BrN2O/c1-8-5-12(15-14-7-8)16-10-3-4-11(13)9(2)6-10/h3-7H,1-2H3
InChIKeyLPVXWGWMKVDXMG-UHFFFAOYSA-N
XLogP3.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylphenoxy)-5-methylpyridine
CID 83141020
2-(4-bromo-3-methylphenoxy)-5-chloropyridine
CID 83132873
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
CID 81334328
1-(4-bromo-3-methylphenoxy)phthalazine
CID 83141017
2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid
CID 106550443
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine
CID 83135228
6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide
CID 83141115
2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine
CID 83140189
5-bromo-4-methyl-2-(4-methylphenoxy)pyridine
CID 114870650
5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid
CID 114090810
2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine
CID 83133978
2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile
CID 83132770

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenoxy)-5-methylpyridazine?
The IUPAC name of 3-(4-bromo-3-methylphenoxy)-5-methylpyridazine (CID 106549380) is 3-(4-bromo-3-methylphenoxy)-5-methylpyridazine.
What is the SMILES notation for 3-(4-bromo-3-methylphenoxy)-5-methylpyridazine?
The canonical SMILES for 3-(4-bromo-3-methylphenoxy)-5-methylpyridazine is Cc1cnnc(Oc2ccc(Br)c(C)c2)c1.
What is the InChIKey of 3-(4-bromo-3-methylphenoxy)-5-methylpyridazine?
The InChIKey is LPVXWGWMKVDXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-8-5-12(15-14-7-8)16-10-3-4-11(13)9(2)6-10/h3-7H,1-2H3.
What are the key properties of 3-(4-bromo-3-methylphenoxy)-5-methylpyridazine?
3-(4-bromo-3-methylphenoxy)-5-methylpyridazine has a molecular weight of 279.14 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenoxy)-5-methylpyridazine is sourced from PubChem (CID 106549380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).