methyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate

C7H8BrN3O3 — CID 114432877

IUPACmethyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)Cn1ncc(N)c(Br)c1=O
InChIInChI=1S/C7H8BrN3O3/c1-14-5(12)3-11-7(13)6(8)4(9)2-10-11/h2H,3,9H2,1H3
InChIKeyZFNZOBPLKOODMW-UHFFFAOYSA-N
MW262.06 g/mol
LogP-0.24
Rot. Bonds2

About methyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate

methyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate (PubChem CID 114432877) has the molecular formula C7H8BrN3O3 and a molecular weight of 262.06 g/mol. Its IUPAC name is methyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate
PubChem CID114432877
Molecular FormulaC7H8BrN3O3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Namemethyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)Cn1ncc(N)c(Br)c1=O
InChIInChI=1S/C7H8BrN3O3/c1-14-5(12)3-11-7(13)6(8)4(9)2-10-11/h2H,3,9H2,1H3
InChIKeyZFNZOBPLKOODMW-UHFFFAOYSA-N
XLogP-0.24
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate?
The IUPAC name of methyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate (CID 114432877) is methyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate is COC(=O)Cn1ncc(N)c(Br)c1=O.
What is the InChIKey of methyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate?
The InChIKey is ZFNZOBPLKOODMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O3/c1-14-5(12)3-11-7(13)6(8)4(9)2-10-11/h2H,3,9H2,1H3.
What are the key properties of methyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate?
methyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate has a molecular weight of 262.06 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 114432877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).