methyl 2-(6-chloropyridazin-4-yl)acetate

C7H7ClN2O2 — CID 134691954

IUPACmethyl 2-(6-chloropyridazin-4-yl)acetate
SMILESCOC(=O)Cc1cnnc(Cl)c1
InChIInChI=1S/C7H7ClN2O2/c1-12-7(11)3-5-2-6(8)10-9-4-5/h2,4H,3H2,1H3
InChIKeyHAYNOWNXGDXYOG-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.85
Rot. Bonds2

About methyl 2-(6-chloropyridazin-4-yl)acetate

methyl 2-(6-chloropyridazin-4-yl)acetate (PubChem CID 134691954) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is methyl 2-(6-chloropyridazin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-chloropyridazin-4-yl)acetate
PubChem CID134691954
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Namemethyl 2-(6-chloropyridazin-4-yl)acetate
SMILESCOC(=O)Cc1cnnc(Cl)c1
InChIInChI=1S/C7H7ClN2O2/c1-12-7(11)3-5-2-6(8)10-9-4-5/h2,4H,3H2,1H3
InChIKeyHAYNOWNXGDXYOG-UHFFFAOYSA-N
XLogP0.85
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloropyridazin-4-yl)acetate?
The IUPAC name of methyl 2-(6-chloropyridazin-4-yl)acetate (CID 134691954) is methyl 2-(6-chloropyridazin-4-yl)acetate.
What is the SMILES notation for methyl 2-(6-chloropyridazin-4-yl)acetate?
The canonical SMILES for methyl 2-(6-chloropyridazin-4-yl)acetate is COC(=O)Cc1cnnc(Cl)c1.
What is the InChIKey of methyl 2-(6-chloropyridazin-4-yl)acetate?
The InChIKey is HAYNOWNXGDXYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-12-7(11)3-5-2-6(8)10-9-4-5/h2,4H,3H2,1H3.
What are the key properties of methyl 2-(6-chloropyridazin-4-yl)acetate?
methyl 2-(6-chloropyridazin-4-yl)acetate has a molecular weight of 186.60 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloropyridazin-4-yl)acetate is sourced from PubChem (CID 134691954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).