methyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate

C13H11FN2O2 — CID 15274286

IUPACmethyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2ccc(F)cc2)cc1C
InChIInChI=1S/C13H11FN2O2/c1-8-7-11(9-3-5-10(14)6-4-9)15-16-12(8)13(17)18-2/h3-7H,1-2H3
InChIKeyWSLZMXBTKQBMLU-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.38
Rot. Bonds2

About methyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate

methyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate (PubChem CID 15274286) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is methyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate
PubChem CID15274286
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Namemethyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2ccc(F)cc2)cc1C
InChIInChI=1S/C13H11FN2O2/c1-8-7-11(9-3-5-10(14)6-4-9)15-16-12(8)13(17)18-2/h3-7H,1-2H3
InChIKeyWSLZMXBTKQBMLU-UHFFFAOYSA-N
XLogP2.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate?
The IUPAC name of methyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate (CID 15274286) is methyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate is COC(=O)c1nnc(-c2ccc(F)cc2)cc1C.
What is the InChIKey of methyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate?
The InChIKey is WSLZMXBTKQBMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-8-7-11(9-3-5-10(14)6-4-9)15-16-12(8)13(17)18-2/h3-7H,1-2H3.
What are the key properties of methyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate?
methyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate has a molecular weight of 246.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate is sourced from PubChem (CID 15274286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).