methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate

C13H11FN2O3 — CID 63953235

IUPACmethyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(F)cc2C)ccc1=O
InChIInChI=1S/C13H11FN2O3/c1-8-7-9(14)3-4-10(8)16-6-5-11(17)12(15-16)13(18)19-2/h3-7H,1-2H3
InChIKeyRZNXTIBEKBXEFG-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.47
Rot. Bonds2

About methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate

methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate (PubChem CID 63953235) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate
PubChem CID63953235
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Namemethyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(F)cc2C)ccc1=O
InChIInChI=1S/C13H11FN2O3/c1-8-7-9(14)3-4-10(8)16-6-5-11(17)12(15-16)13(18)19-2/h3-7H,1-2H3
InChIKeyRZNXTIBEKBXEFG-UHFFFAOYSA-N
XLogP1.47
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate (CID 63953235) is methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate is COC(=O)c1nn(-c2ccc(F)cc2C)ccc1=O.
What is the InChIKey of methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate?
The InChIKey is RZNXTIBEKBXEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-8-7-9(14)3-4-10(8)16-6-5-11(17)12(15-16)13(18)19-2/h3-7H,1-2H3.
What are the key properties of methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate?
methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate has a molecular weight of 262.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate is sourced from PubChem (CID 63953235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).