methyl 4-oxo-1-phenylpyridazine-3-carboxylate

C12H10N2O3 — CID 1481293

IUPACmethyl 4-oxo-1-phenylpyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)ccc1=O
InChIInChI=1S/C12H10N2O3/c1-17-12(16)11-10(15)7-8-14(13-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyKULAPWNHWNNGMG-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.02
Rot. Bonds2

About methyl 4-oxo-1-phenylpyridazine-3-carboxylate

methyl 4-oxo-1-phenylpyridazine-3-carboxylate (PubChem CID 1481293) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is methyl 4-oxo-1-phenylpyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-1-phenylpyridazine-3-carboxylate
PubChem CID1481293
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Namemethyl 4-oxo-1-phenylpyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)ccc1=O
InChIInChI=1S/C12H10N2O3/c1-17-12(16)11-10(15)7-8-14(13-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyKULAPWNHWNNGMG-UHFFFAOYSA-N
XLogP1.02
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-1-phenylpyridazine-3-carboxylate?
The IUPAC name of methyl 4-oxo-1-phenylpyridazine-3-carboxylate (CID 1481293) is methyl 4-oxo-1-phenylpyridazine-3-carboxylate.
What is the SMILES notation for methyl 4-oxo-1-phenylpyridazine-3-carboxylate?
The canonical SMILES for methyl 4-oxo-1-phenylpyridazine-3-carboxylate is COC(=O)c1nn(-c2ccccc2)ccc1=O.
What is the InChIKey of methyl 4-oxo-1-phenylpyridazine-3-carboxylate?
The InChIKey is KULAPWNHWNNGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-17-12(16)11-10(15)7-8-14(13-11)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of methyl 4-oxo-1-phenylpyridazine-3-carboxylate?
methyl 4-oxo-1-phenylpyridazine-3-carboxylate has a molecular weight of 230.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-1-phenylpyridazine-3-carboxylate is sourced from PubChem (CID 1481293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).