ethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate

C10H11ClN2O4 — CID 171021881

IUPACethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate
SMILESCCOC(=O)Cc1c(Cl)ccc([N+](=O)[O-])c1N
InChIInChI=1S/C10H11ClN2O4/c1-2-17-9(14)5-6-7(11)3-4-8(10(6)12)13(15)16/h3-4H,2,5,12H2,1H3
InChIKeyKQNROPJMTPCKQE-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.94
Rot. Bonds4

About ethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate

ethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate (PubChem CID 171021881) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is ethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate
PubChem CID171021881
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Nameethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate
SMILESCCOC(=O)Cc1c(Cl)ccc([N+](=O)[O-])c1N
InChIInChI=1S/C10H11ClN2O4/c1-2-17-9(14)5-6-7(11)3-4-8(10(6)12)13(15)16/h3-4H,2,5,12H2,1H3
InChIKeyKQNROPJMTPCKQE-UHFFFAOYSA-N
XLogP1.94
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate
CID 171017066
ethyl 2-(2,3-dibromo-6-nitrophenyl)acetate
CID 171006447
ethyl 2-(2-amino-6-chloro-3-methoxyphenyl)acetate
CID 171021744
ethyl 2-(2-amino-4-chloro-5-nitrophenyl)acetate
CID 171021629
ethyl 2-(3-amino-6-chloro-2-methylphenyl)acetate
CID 171022151
ethyl 2-(3,6-dimethyl-2-nitrophenyl)acetate
CID 134632764
ethyl 2-(2-chloro-5-methyl-4-nitrophenyl)acetate
CID 15892658
ethyl 2-(2-bromo-3-fluoro-6-nitrophenyl)acetate
CID 134631916
ethyl 2-(2-chloro-6-methyl-4-nitrophenyl)acetate
CID 171028477
ethyl 2-[(2,3-dichloro-6-nitrophenyl)methylamino]acetate;hydrochloride
CID 25008811
ethyl 2,6-dichloro-3-nitrobenzoate
CID 43448985
ethyl 2-(2,4-dimethyl-6-nitrophenyl)acetate
CID 134615202

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate?
The IUPAC name of ethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate (CID 171021881) is ethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate.
What is the SMILES notation for ethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate?
The canonical SMILES for ethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate is CCOC(=O)Cc1c(Cl)ccc([N+](=O)[O-])c1N.
What is the InChIKey of ethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate?
The InChIKey is KQNROPJMTPCKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-2-17-9(14)5-6-7(11)3-4-8(10(6)12)13(15)16/h3-4H,2,5,12H2,1H3.
What are the key properties of ethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate?
ethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate has a molecular weight of 258.66 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate is sourced from PubChem (CID 171021881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).