6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine

C11H8ClFN2O — CID 165373268

IUPAC6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine
SMILESCOc1cc(Cl)nnc1-c1ccc(F)cc1
InChIInChI=1S/C11H8ClFN2O/c1-16-9-6-10(12)14-15-11(9)7-2-4-8(13)5-3-7/h2-6H,1H3
InChIKeyXVMUSYBVDRUWTM-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.94
Rot. Bonds2

About 6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine

6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine (PubChem CID 165373268) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine.

Molecular Properties

Compound Name6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine
PubChem CID165373268
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine
SMILESCOc1cc(Cl)nnc1-c1ccc(F)cc1
InChIInChI=1S/C11H8ClFN2O/c1-16-9-6-10(12)14-15-11(9)7-2-4-8(13)5-3-7/h2-6H,1H3
InChIKeyXVMUSYBVDRUWTM-UHFFFAOYSA-N
XLogP2.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine?
The IUPAC name of 6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine (CID 165373268) is 6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine.
What is the SMILES notation for 6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine?
The canonical SMILES for 6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine is COc1cc(Cl)nnc1-c1ccc(F)cc1.
What is the InChIKey of 6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine?
The InChIKey is XVMUSYBVDRUWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c1-16-9-6-10(12)14-15-11(9)7-2-4-8(13)5-3-7/h2-6H,1H3.
What are the key properties of 6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine?
6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine has a molecular weight of 238.65 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-fluorophenyl)-4-methoxypyridazine is sourced from PubChem (CID 165373268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).