methyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate

C12H10N2O3 — CID 177237399

IUPACmethyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate
SMILESCOC(=O)c1n[nH]c(=O)cc1-c1ccccc1
InChIInChI=1S/C12H10N2O3/c1-17-12(16)11-9(7-10(15)13-14-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,15)
InChIKeyCFTJUUYWBSGYPH-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.22
Rot. Bonds2

About methyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate

methyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate (PubChem CID 177237399) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is methyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate
PubChem CID177237399
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Namemethyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate
SMILESCOC(=O)c1n[nH]c(=O)cc1-c1ccccc1
InChIInChI=1S/C12H10N2O3/c1-17-12(16)11-9(7-10(15)13-14-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,15)
InChIKeyCFTJUUYWBSGYPH-UHFFFAOYSA-N
XLogP1.22
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-chloro-6-oxo-1H-pyridazin-4-yl)benzoate
CID 129057278
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate
CID 102083837
methyl 2-oxo-4,6-diphenylpyran-3-carboxylate
CID 138984792
methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate
CID 10443789
methyl 6-oxo-3-phenylpyran-2-carboxylate
CID 164686446
methyl 3-methyl-6-phenylpyridine-2-carboxylate
CID 118174962
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140
methyl 5-chloro-2-phenyl-1H-imidazole-4-carboxylate
CID 69111578
4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one
CID 22135515

Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate?
The IUPAC name of methyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate (CID 177237399) is methyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate is COC(=O)c1n[nH]c(=O)cc1-c1ccccc1.
What is the InChIKey of methyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate?
The InChIKey is CFTJUUYWBSGYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-17-12(16)11-9(7-10(15)13-14-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,15).
What are the key properties of methyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate?
methyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate has a molecular weight of 230.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 177237399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).