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

C9H12N2O4 — CID 105061578

IUPACethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C9H12N2O4/c1-3-15-9(13)6-11-8(12)5-4-7(10-11)14-2/h4-5H,3,6H2,1-2H3
InChIKeyJQRSYRMDKKMQKS-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.19
Rot. Bonds4

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

ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate (PubChem CID 105061578) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate
PubChem CID105061578
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Nameethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C9H12N2O4/c1-3-15-9(13)6-11-8(12)5-4-7(10-11)14-2/h4-5H,3,6H2,1-2H3
InChIKeyJQRSYRMDKKMQKS-UHFFFAOYSA-N
XLogP-0.19
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.19
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
Ethyl 2-fluoro-2-(6-oxopyridazin-1-yl)acetate
CID 81296975
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
Ethane;ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate
CID 145017677
Ethyl 2-(3-bromo-6-oxopyridazin-1(6H)-yl)acetate
CID 155295104
[1-(2-Methoxyethyl)-6-oxopyridazin-3-yl] carbamate
CID 175376590
(3-Methoxy-6-oxopyridazin-1(6H)-yl)acetic acid
CID 5229845
3(2H)-Pyridazinone, 6-[2-(diethylamino)ethoxy]-2-methyl-
CID 12015112
Propan-2-yl 2-(6-oxopyridazin-1-yl)acetate
CID 62849244
Butyl 2-(6-oxopyridazin-1-yl)acetate
CID 62849245

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate (CID 105061578) is ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate is CCOC(=O)Cn1nc(OC)ccc1=O.
What is the InChIKey of ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate?
The InChIKey is JQRSYRMDKKMQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-15-9(13)6-11-8(12)5-4-7(10-11)14-2/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate?
ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate has a molecular weight of 212.20 g/mol, XLogP of -0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 105061578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).