methyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate

C8H10N2O4 — CID 105061577

IUPACmethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C8H10N2O4/c1-13-6-3-4-7(11)10(9-6)5-8(12)14-2/h3-4H,5H2,1-2H3
InChIKeyZRXJQAQLJPAEFW-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.58
Rot. Bonds3

About methyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate

methyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate (PubChem CID 105061577) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is methyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate
PubChem CID105061577
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Namemethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C8H10N2O4/c1-13-6-3-4-7(11)10(9-6)5-8(12)14-2/h3-4H,5H2,1-2H3
InChIKeyZRXJQAQLJPAEFW-UHFFFAOYSA-N
XLogP-0.58
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl (6-oxopyridazin-1(6H)-yl)acetate
CID 45496282
Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester
CID 144466
2-Fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetic acid
CID 105061540
Ethyl 2-fluoro-2-(3-methoxy-6-oxopyridazin-1-yl)acetate
CID 105061568
Methyl 2-(6-oxohydropyridazinyl)acetate
CID 46786410
Ethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate
CID 145017677
Methyl 2-(3-bromo-6-oxopyridazin-1-yl)acetate
CID 153582811
Ethyl 2-(3-bromo-6-oxopyridazin-1(6H)-yl)acetate
CID 155295104
Methyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate
CID 156423850
[1-(2-Methoxyethyl)-6-oxopyridazin-3-yl] carbamate
CID 175376590
(3-Methoxy-6-oxopyridazin-1(6H)-yl)acetic acid
CID 5229845
dimethyl (Z)-2-(6-oxopyridazin-1-yl)but-2-enedioate
CID 53355358

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate?
The IUPAC name of methyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate (CID 105061577) is methyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate is COC(=O)Cn1nc(OC)ccc1=O.
What is the InChIKey of methyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate?
The InChIKey is ZRXJQAQLJPAEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-13-6-3-4-7(11)10(9-6)5-8(12)14-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate?
methyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate has a molecular weight of 198.18 g/mol, XLogP of -0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 105061577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).