3-chloro-6-(2-propan-2-ylphenoxy)pyridazine

C13H13ClN2O — CID 54915404

IUPAC3-chloro-6-(2-propan-2-ylphenoxy)pyridazine
SMILESCC(C)c1ccccc1Oc1ccc(Cl)nn1
InChIInChI=1S/C13H13ClN2O/c1-9(2)10-5-3-4-6-11(10)17-13-8-7-12(14)15-16-13/h3-9H,1-2H3
InChIKeyKEDBLZOOMXWUFI-UHFFFAOYSA-N
MW248.71 g/mol
LogP4.05
Rot. Bonds3

About 3-chloro-6-(2-propan-2-ylphenoxy)pyridazine

3-chloro-6-(2-propan-2-ylphenoxy)pyridazine (PubChem CID 54915404) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 3-chloro-6-(2-propan-2-ylphenoxy)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2-propan-2-ylphenoxy)pyridazine
PubChem CID54915404
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name3-chloro-6-(2-propan-2-ylphenoxy)pyridazine
SMILESCC(C)c1ccccc1Oc1ccc(Cl)nn1
InChIInChI=1S/C13H13ClN2O/c1-9(2)10-5-3-4-6-11(10)17-13-8-7-12(14)15-16-13/h3-9H,1-2H3
InChIKeyKEDBLZOOMXWUFI-UHFFFAOYSA-N
XLogP4.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(2-propan-2-ylphenoxy)pyridine
CID 66234112
2-chloro-6-(2-propan-2-ylphenoxy)pyrazine
CID 54915358
3-chloro-6-naphthalen-1-yloxypyridazine
CID 54915223
6-(2-propan-2-ylphenoxy)pyridin-3-amine
CID 16641865
3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine
CID 87882017
2-(chloromethyl)-6-(2-propan-2-ylphenoxy)pyridine
CID 62240218
[6-(2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 16781989
3-chloro-6-(2,5-dimethylphenoxy)pyridazine
CID 60675027
3-chloro-6-[2-(1-ethylsulfanylcyclopropyl)phenoxy]pyridazine
CID 91330796
2-[6-(2-propan-2-ylphenoxy)-3-pyridinyl]ethanamine
CID 80640158
3-chloro-6-(2-methyl-3-nitrophenoxy)pyridazine
CID 54915539
6-(2-propan-2-ylphenoxy)pyridine-3-sulfonamide
CID 115928047

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-propan-2-ylphenoxy)pyridazine?
The IUPAC name of 3-chloro-6-(2-propan-2-ylphenoxy)pyridazine (CID 54915404) is 3-chloro-6-(2-propan-2-ylphenoxy)pyridazine.
What is the SMILES notation for 3-chloro-6-(2-propan-2-ylphenoxy)pyridazine?
The canonical SMILES for 3-chloro-6-(2-propan-2-ylphenoxy)pyridazine is CC(C)c1ccccc1Oc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(2-propan-2-ylphenoxy)pyridazine?
The InChIKey is KEDBLZOOMXWUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9(2)10-5-3-4-6-11(10)17-13-8-7-12(14)15-16-13/h3-9H,1-2H3.
What are the key properties of 3-chloro-6-(2-propan-2-ylphenoxy)pyridazine?
3-chloro-6-(2-propan-2-ylphenoxy)pyridazine has a molecular weight of 248.71 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-propan-2-ylphenoxy)pyridazine is sourced from PubChem (CID 54915404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).