4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine

C13H9Cl2FN2O — CID 22939934

IUPAC4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine
SMILESFC1(c2ccccc2Oc2nnc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H9Cl2FN2O/c14-9-7-11(15)17-18-12(9)19-10-4-2-1-3-8(10)13(16)5-6-13/h1-4,7H,5-6H2
InChIKeyRLMQCFXEOCALDS-UHFFFAOYSA-N
MW299.13 g/mol
LogP4.53
Rot. Bonds3

About 4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine

4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine (PubChem CID 22939934) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is 4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine.

Molecular Properties

Compound Name4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine
PubChem CID22939934
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine
SMILESFC1(c2ccccc2Oc2nnc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H9Cl2FN2O/c14-9-7-11(15)17-18-12(9)19-10-4-2-1-3-8(10)13(16)5-6-13/h1-4,7H,5-6H2
InChIKeyRLMQCFXEOCALDS-UHFFFAOYSA-N
XLogP4.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine?
The IUPAC name of 4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine (CID 22939934) is 4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine.
What is the SMILES notation for 4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine?
The canonical SMILES for 4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine is FC1(c2ccccc2Oc2nnc(Cl)cc2Cl)CC1.
What is the InChIKey of 4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine?
The InChIKey is RLMQCFXEOCALDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c14-9-7-11(15)17-18-12(9)19-10-4-2-1-3-8(10)13(16)5-6-13/h1-4,7H,5-6H2.
What are the key properties of 4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine?
4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine has a molecular weight of 299.13 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-[2-(1-fluorocyclopropyl)phenoxy]pyridazine is sourced from PubChem (CID 22939934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).