methyl 2-(6-amino-2,3-dichlorophenyl)acetate

C9H9Cl2NO2 — CID 131280800

IUPACmethyl 2-(6-amino-2,3-dichlorophenyl)acetate
SMILESCOC(=O)Cc1c(N)ccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-14-8(13)4-5-7(12)3-2-6(10)9(5)11/h2-3H,4,12H2,1H3
InChIKeyPXIWKCWXGQEORD-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.29
Rot. Bonds2

About methyl 2-(6-amino-2,3-dichlorophenyl)acetate

methyl 2-(6-amino-2,3-dichlorophenyl)acetate (PubChem CID 131280800) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is methyl 2-(6-amino-2,3-dichlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-amino-2,3-dichlorophenyl)acetate
PubChem CID131280800
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Namemethyl 2-(6-amino-2,3-dichlorophenyl)acetate
SMILESCOC(=O)Cc1c(N)ccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-14-8(13)4-5-7(12)3-2-6(10)9(5)11/h2-3H,4,12H2,1H3
InChIKeyPXIWKCWXGQEORD-UHFFFAOYSA-N
XLogP2.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-amino-2,3-dichlorophenyl)acetate?
The IUPAC name of methyl 2-(6-amino-2,3-dichlorophenyl)acetate (CID 131280800) is methyl 2-(6-amino-2,3-dichlorophenyl)acetate.
What is the SMILES notation for methyl 2-(6-amino-2,3-dichlorophenyl)acetate?
The canonical SMILES for methyl 2-(6-amino-2,3-dichlorophenyl)acetate is COC(=O)Cc1c(N)ccc(Cl)c1Cl.
What is the InChIKey of methyl 2-(6-amino-2,3-dichlorophenyl)acetate?
The InChIKey is PXIWKCWXGQEORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-14-8(13)4-5-7(12)3-2-6(10)9(5)11/h2-3H,4,12H2,1H3.
What are the key properties of methyl 2-(6-amino-2,3-dichlorophenyl)acetate?
methyl 2-(6-amino-2,3-dichlorophenyl)acetate has a molecular weight of 234.08 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-amino-2,3-dichlorophenyl)acetate is sourced from PubChem (CID 131280800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).