ethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate

C14H13ClN2O3 — CID 66995186

IUPACethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate
SMILESCCOC(=O)c1ccc(Cl)c(Oc2cccnc2N)c1
InChIInChI=1S/C14H13ClN2O3/c1-2-19-14(18)9-5-6-10(15)12(8-9)20-11-4-3-7-17-13(11)16/h3-8H,2H2,1H3,(H2,16,17)
InChIKeyOIYDVJFDEHXRKK-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.29
Rot. Bonds4

About ethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate

ethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate (PubChem CID 66995186) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is ethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate.

Molecular Properties

Compound Nameethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate
PubChem CID66995186
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Nameethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate
SMILESCCOC(=O)c1ccc(Cl)c(Oc2cccnc2N)c1
InChIInChI=1S/C14H13ClN2O3/c1-2-19-14(18)9-5-6-10(15)12(8-9)20-11-4-3-7-17-13(11)16/h3-8H,2H2,1H3,(H2,16,17)
InChIKeyOIYDVJFDEHXRKK-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

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Related Compounds

ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate
CID 82775766
4-O-(2-chlorophenyl) 1-O-ethyl benzene-1,4-dicarboxylate
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ethyl 4-amino-3-pyrimidin-2-ylsulfanylbenzoate
CID 82795923
3-O-(2,5-dichlorophenyl) 1-O-ethyl benzene-1,3-dicarboxylate
CID 91727051
ethyl 3,4-diethoxybenzoate
CID 586407
(2-ethoxyphenyl) 3,4-dichlorobenzoate
CID 733877
ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
ethyl 4-chloro-3-ethylsulfanylbenzoate
CID 91876324
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577
ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 1,4-dichloroisoquinoline-7-carboxylate
CID 18698389

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate?
The IUPAC name of ethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate (CID 66995186) is ethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate.
What is the SMILES notation for ethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate?
The canonical SMILES for ethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate is CCOC(=O)c1ccc(Cl)c(Oc2cccnc2N)c1.
What is the InChIKey of ethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate?
The InChIKey is OIYDVJFDEHXRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-2-19-14(18)9-5-6-10(15)12(8-9)20-11-4-3-7-17-13(11)16/h3-8H,2H2,1H3,(H2,16,17).
What are the key properties of ethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate?
ethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate 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 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate is sourced from PubChem (CID 66995186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).