methyl 2-(5-amino-2,3-dichlorophenyl)acetate

C9H9Cl2NO2 — CID 131482465

IUPACmethyl 2-(5-amino-2,3-dichlorophenyl)acetate
SMILESCOC(=O)Cc1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-14-8(13)3-5-2-6(12)4-7(10)9(5)11/h2,4H,3,12H2,1H3
InChIKeyBTAWMOIJIPRYPZ-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.29
Rot. Bonds2

About methyl 2-(5-amino-2,3-dichlorophenyl)acetate

methyl 2-(5-amino-2,3-dichlorophenyl)acetate (PubChem CID 131482465) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is methyl 2-(5-amino-2,3-dichlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-amino-2,3-dichlorophenyl)acetate
PubChem CID131482465
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Namemethyl 2-(5-amino-2,3-dichlorophenyl)acetate
SMILESCOC(=O)Cc1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-14-8(13)3-5-2-6(12)4-7(10)9(5)11/h2,4H,3,12H2,1H3
InChIKeyBTAWMOIJIPRYPZ-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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Related Compounds

Methyl 5-amino-2,3-dichlorobenzoate
CID 53951717
Methyl 4-amino-2,6-dichlorobenzeneacetate
CID 67021638
2-(5-Amino-2-chloro-4-fluorophenyl)propanoic acid
CID 54243036
Methyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate
CID 57179795
Methyl 2-(5-amino-2-chloro-4-fluorophenyl)-2-sulfanylacetate
CID 57252715
Ethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate
CID 69297881
Ethyl 2-(3-amino-6-chloro-2-fluorophenyl)acetate
CID 89606129
Ethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate
CID 155748190
Ethyl 2-[5-amino-2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 164549743
Methyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)acetate
CID 164549889
Methyl 2-(2,3-dichloro-4-fluoro-5-nitrophenyl)acetate
CID 164549914
[3-[Carboxy(difluoro)methyl]-4,5-dichlorophenyl]azanium
CID 166132486

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-amino-2,3-dichlorophenyl)acetate?
The IUPAC name of methyl 2-(5-amino-2,3-dichlorophenyl)acetate (CID 131482465) is methyl 2-(5-amino-2,3-dichlorophenyl)acetate.
What is the SMILES notation for methyl 2-(5-amino-2,3-dichlorophenyl)acetate?
The canonical SMILES for methyl 2-(5-amino-2,3-dichlorophenyl)acetate is COC(=O)Cc1cc(N)cc(Cl)c1Cl.
What is the InChIKey of methyl 2-(5-amino-2,3-dichlorophenyl)acetate?
The InChIKey is BTAWMOIJIPRYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-14-8(13)3-5-2-6(12)4-7(10)9(5)11/h2,4H,3,12H2,1H3.
What are the key properties of methyl 2-(5-amino-2,3-dichlorophenyl)acetate?
methyl 2-(5-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-(5-amino-2,3-dichlorophenyl)acetate is sourced from PubChem (CID 131482465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).