methyl 2-(3-methoxypyridazin-4-yl)acetate

C8H10N2O3 — CID 162419771

IUPACmethyl 2-(3-methoxypyridazin-4-yl)acetate
SMILESCOC(=O)Cc1ccnnc1OC
InChIInChI=1S/C8H10N2O3/c1-12-7(11)5-6-3-4-9-10-8(6)13-2/h3-4H,5H2,1-2H3
InChIKeyGPAQUCZEZOUSOP-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.20
Rot. Bonds3

About methyl 2-(3-methoxypyridazin-4-yl)acetate

methyl 2-(3-methoxypyridazin-4-yl)acetate (PubChem CID 162419771) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 2-(3-methoxypyridazin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methoxypyridazin-4-yl)acetate
PubChem CID162419771
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 2-(3-methoxypyridazin-4-yl)acetate
SMILESCOC(=O)Cc1ccnnc1OC
InChIInChI=1S/C8H10N2O3/c1-12-7(11)5-6-3-4-9-10-8(6)13-2/h3-4H,5H2,1-2H3
InChIKeyGPAQUCZEZOUSOP-UHFFFAOYSA-N
XLogP0.20
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxypyridazin-4-yl)acetate?
The IUPAC name of methyl 2-(3-methoxypyridazin-4-yl)acetate (CID 162419771) is methyl 2-(3-methoxypyridazin-4-yl)acetate.
What is the SMILES notation for methyl 2-(3-methoxypyridazin-4-yl)acetate?
The canonical SMILES for methyl 2-(3-methoxypyridazin-4-yl)acetate is COC(=O)Cc1ccnnc1OC.
What is the InChIKey of methyl 2-(3-methoxypyridazin-4-yl)acetate?
The InChIKey is GPAQUCZEZOUSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-12-7(11)5-6-3-4-9-10-8(6)13-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(3-methoxypyridazin-4-yl)acetate?
methyl 2-(3-methoxypyridazin-4-yl)acetate has a molecular weight of 182.18 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxypyridazin-4-yl)acetate is sourced from PubChem (CID 162419771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).