6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine

C14H14Cl2N2O2 — CID 22940131

IUPAC6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine
SMILESCOc1cc(Cl)nnc1Oc1c(Cl)cccc1C(C)C
InChIInChI=1S/C14H14Cl2N2O2/c1-8(2)9-5-4-6-10(15)13(9)20-14-11(19-3)7-12(16)17-18-14/h4-8H,1-3H3
InChIKeyFSAFXLGDLJTZHB-UHFFFAOYSA-N
MW313.18 g/mol
LogP4.71
Rot. Bonds4

About 6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine

6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine (PubChem CID 22940131) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine.

Molecular Properties

Compound Name6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine
PubChem CID22940131
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine
SMILESCOc1cc(Cl)nnc1Oc1c(Cl)cccc1C(C)C
InChIInChI=1S/C14H14Cl2N2O2/c1-8(2)9-5-4-6-10(15)13(9)20-14-11(19-3)7-12(16)17-18-14/h4-8H,1-3H3
InChIKeyFSAFXLGDLJTZHB-UHFFFAOYSA-N
XLogP4.71
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine?
The IUPAC name of 6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine (CID 22940131) is 6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine.
What is the SMILES notation for 6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine?
The canonical SMILES for 6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine is COc1cc(Cl)nnc1Oc1c(Cl)cccc1C(C)C.
What is the InChIKey of 6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine?
The InChIKey is FSAFXLGDLJTZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-8(2)9-5-4-6-10(15)13(9)20-14-11(19-3)7-12(16)17-18-14/h4-8H,1-3H3.
What are the key properties of 6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine?
6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine has a molecular weight of 313.18 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-chloro-6-propan-2-ylphenoxy)-4-methoxypyridazine is sourced from PubChem (CID 22940131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).