methyl 2-(4-chlorophthalazin-1-yl)acetate

C11H9ClN2O2 — CID 117272900

IUPACmethyl 2-(4-chlorophthalazin-1-yl)acetate
SMILESCOC(=O)Cc1nnc(Cl)c2ccccc12
InChIInChI=1S/C11H9ClN2O2/c1-16-10(15)6-9-7-4-2-3-5-8(7)11(12)14-13-9/h2-5H,6H2,1H3
InChIKeyJCZBGPKSILDGCW-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.00
Rot. Bonds2

About methyl 2-(4-chlorophthalazin-1-yl)acetate

methyl 2-(4-chlorophthalazin-1-yl)acetate (PubChem CID 117272900) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is methyl 2-(4-chlorophthalazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophthalazin-1-yl)acetate
PubChem CID117272900
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Namemethyl 2-(4-chlorophthalazin-1-yl)acetate
SMILESCOC(=O)Cc1nnc(Cl)c2ccccc12
InChIInChI=1S/C11H9ClN2O2/c1-16-10(15)6-9-7-4-2-3-5-8(7)11(12)14-13-9/h2-5H,6H2,1H3
InChIKeyJCZBGPKSILDGCW-UHFFFAOYSA-N
XLogP2.00
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophthalazin-1-yl)acetate?
The IUPAC name of methyl 2-(4-chlorophthalazin-1-yl)acetate (CID 117272900) is methyl 2-(4-chlorophthalazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-chlorophthalazin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-chlorophthalazin-1-yl)acetate is COC(=O)Cc1nnc(Cl)c2ccccc12.
What is the InChIKey of methyl 2-(4-chlorophthalazin-1-yl)acetate?
The InChIKey is JCZBGPKSILDGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-16-10(15)6-9-7-4-2-3-5-8(7)11(12)14-13-9/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(4-chlorophthalazin-1-yl)acetate?
methyl 2-(4-chlorophthalazin-1-yl)acetate has a molecular weight of 236.66 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophthalazin-1-yl)acetate is sourced from PubChem (CID 117272900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).