ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate

C14H13ClN2O3 — CID 43364097

IUPACethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(N)cc2Cl)nc1
InChIInChI=1S/C14H13ClN2O3/c1-2-19-14(18)9-3-6-13(17-8-9)20-12-5-4-10(16)7-11(12)15/h3-8H,2,16H2,1H3
InChIKeyGYHDHAIOUJYVMW-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.29
Rot. Bonds4

About ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate

ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate (PubChem CID 43364097) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
PubChem CID43364097
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Nameethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(N)cc2Cl)nc1
InChIInChI=1S/C14H13ClN2O3/c1-2-19-14(18)9-3-6-13(17-8-9)20-12-5-4-10(16)7-11(12)15/h3-8H,2,16H2,1H3
InChIKeyGYHDHAIOUJYVMW-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 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate
CID 31536724
ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate
CID 142415214
3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline
CID 43173727
ethyl 6-(2-amino-3-hydroxyphenoxy)pyridine-3-carboxylate
CID 114764586
ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 24707678
ethyl 6-(2-fluorophenoxy)pyridine-3-carboxylate
CID 23148943
methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate
CID 121281075
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone
CID 134828568
ethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
CID 79844299

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate (CID 43364097) is ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate is CCOC(=O)c1ccc(Oc2ccc(N)cc2Cl)nc1.
What is the InChIKey of ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate?
The InChIKey is GYHDHAIOUJYVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-2-19-14(18)9-3-6-13(17-8-9)20-12-5-4-10(16)7-11(12)15/h3-8H,2,16H2,1H3.
What are the key properties of ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate?
ethyl 6-(4-amino-2-chlorophenoxy)pyridine-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-amino-2-chlorophenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 43364097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).