ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate

C14H13ClN2O3 — CID 121281075

IUPACethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Oc2ccc(N)cc2)c(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c1-2-19-14(18)9-7-12(15)13(17-8-9)20-11-5-3-10(16)4-6-11/h3-8H,2,16H2,1H3
InChIKeyJGIRNIPHWIGGBN-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.29
Rot. Bonds4

About ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate

ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate (PubChem CID 121281075) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate
PubChem CID121281075
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Nameethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Oc2ccc(N)cc2)c(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c1-2-19-14(18)9-7-12(15)13(17-8-9)20-11-5-3-10(16)4-6-11/h3-8H,2,16H2,1H3
InChIKeyJGIRNIPHWIGGBN-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 66825644
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
CID 43364097
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122
ethyl 4-aminobenzoate
CID 2337
ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
CID 67661567
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate
CID 82775766
[5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
CID 55809533
5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784100
ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 57099582
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate (CID 121281075) is ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate is CCOC(=O)c1cnc(Oc2ccc(N)cc2)c(Cl)c1.
What is the InChIKey of ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate?
The InChIKey is JGIRNIPHWIGGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-2-19-14(18)9-7-12(15)13(17-8-9)20-11-5-3-10(16)4-6-11/h3-8H,2,16H2,1H3.
What are the key properties of ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate?
ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate 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 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate is sourced from PubChem (CID 121281075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).