methyl 2-(6-chloropyridazin-3-yl)-2-methylpropanoate

C9H11ClN2O2 — CID 131499889

IUPACmethyl 2-(6-chloropyridazin-3-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(Cl)nn1
InChIInChI=1S/C9H11ClN2O2/c1-9(2,8(13)14-3)6-4-5-7(10)12-11-6/h4-5H,1-3H3
InChIKeyYDFSKJNHTMGTGB-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.58
Rot. Bonds2

About methyl 2-(6-chloropyridazin-3-yl)-2-methylpropanoate

methyl 2-(6-chloropyridazin-3-yl)-2-methylpropanoate (PubChem CID 131499889) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl 2-(6-chloropyridazin-3-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(6-chloropyridazin-3-yl)-2-methylpropanoate
PubChem CID131499889
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Namemethyl 2-(6-chloropyridazin-3-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(Cl)nn1
InChIInChI=1S/C9H11ClN2O2/c1-9(2,8(13)14-3)6-4-5-7(10)12-11-6/h4-5H,1-3H3
InChIKeyYDFSKJNHTMGTGB-UHFFFAOYSA-N
XLogP1.58
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.58
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-3-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(6-chloropyridazin-3-yl)-2-methylpropanoate (CID 131499889) is methyl 2-(6-chloropyridazin-3-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(6-chloropyridazin-3-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(6-chloropyridazin-3-yl)-2-methylpropanoate is COC(=O)C(C)(C)c1ccc(Cl)nn1.
What is the InChIKey of methyl 2-(6-chloropyridazin-3-yl)-2-methylpropanoate?
The InChIKey is YDFSKJNHTMGTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-9(2,8(13)14-3)6-4-5-7(10)12-11-6/h4-5H,1-3H3.
What are the key properties of methyl 2-(6-chloropyridazin-3-yl)-2-methylpropanoate?
methyl 2-(6-chloropyridazin-3-yl)-2-methylpropanoate has a molecular weight of 214.65 g/mol, XLogP of 1.58, 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-3-yl)-2-methylpropanoate is sourced from PubChem (CID 131499889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).