ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate

C14H13ClN2O3 — CID 115547310

IUPACethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1cccc(Oc2cncc(Cl)c2)c1N
InChIInChI=1S/C14H13ClN2O3/c1-2-19-14(18)11-4-3-5-12(13(11)16)20-10-6-9(15)7-17-8-10/h3-8H,2,16H2,1H3
InChIKeyJHJMVJRRIAGGJP-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.29
Rot. Bonds4

About ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate

ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate (PubChem CID 115547310) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate
PubChem CID115547310
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Nameethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1cccc(Oc2cncc(Cl)c2)c1N
InChIInChI=1S/C14H13ClN2O3/c1-2-19-14(18)11-4-3-5-12(13(11)16)20-10-6-9(15)7-17-8-10/h3-8H,2,16H2,1H3
InChIKeyJHJMVJRRIAGGJP-UHFFFAOYSA-N
XLogP3.29
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-3-(4-chloro-3-methylphenoxy)benzoate
CID 115546867
ethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate
CID 113333382
ethyl 2-amino-3-(5-fluoro-2-methylphenoxy)benzoate
CID 102982941
2-amino-3-(3,5-dichlorophenoxy)benzoic acid
CID 115547178
ethyl 2-amino-3-octoxybenzoate
CID 115547094
2-amino-3-(3-ethoxyphenoxy)benzoic acid
CID 115547246
ethyl 5-chloro-2-phenoxybenzoate
CID 11652014
(5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate
CID 102878407
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 2-amino-3-(2-chloroacetyl)benzoate
CID 175008428
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
CID 105405869
ethyl 2-(3,4-difluorophenoxy)benzoate
CID 175272248

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate?
The IUPAC name of ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate (CID 115547310) is ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate.
What is the SMILES notation for ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate?
The canonical SMILES for ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate is CCOC(=O)c1cccc(Oc2cncc(Cl)c2)c1N.
What is the InChIKey of ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate?
The InChIKey is JHJMVJRRIAGGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-2-19-14(18)11-4-3-5-12(13(11)16)20-10-6-9(15)7-17-8-10/h3-8H,2,16H2,1H3.
What are the key properties of ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate?
ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate has a molecular weight of 292.72 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate is sourced from PubChem (CID 115547310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).