3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine

C12H11FN2O — CID 165373089

IUPAC3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine
SMILESCOc1cc(C)nnc1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O/c1-8-7-11(16-2)12(15-14-8)9-3-5-10(13)6-4-9/h3-7H,1-2H3
InChIKeyPDUNZAQMLIFXNB-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.60
Rot. Bonds2

About 3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine

3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine (PubChem CID 165373089) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine
PubChem CID165373089
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine
SMILESCOc1cc(C)nnc1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O/c1-8-7-11(16-2)12(15-14-8)9-3-5-10(13)6-4-9/h3-7H,1-2H3
InChIKeyPDUNZAQMLIFXNB-UHFFFAOYSA-N
XLogP2.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine?
The IUPAC name of 3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine (CID 165373089) is 3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine?
The canonical SMILES for 3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine is COc1cc(C)nnc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine?
The InChIKey is PDUNZAQMLIFXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-7-11(16-2)12(15-14-8)9-3-5-10(13)6-4-9/h3-7H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine?
3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine has a molecular weight of 218.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine is sourced from PubChem (CID 165373089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).