ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate

C17H15N3O3 — CID 47083356

IUPACethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H15N3O3/c1-2-22-17(21)15-4-3-9-19-16(15)23-14-7-5-13(6-8-14)20-11-10-18-12-20/h3-12H,2H2,1H3
InChIKeyNEQAOIGAFCOAGP-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.24
Rot. Bonds5

About ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate

ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate (PubChem CID 47083356) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate
PubChem CID47083356
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Nameethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H15N3O3/c1-2-22-17(21)15-4-3-9-19-16(15)23-14-7-5-13(6-8-14)20-11-10-18-12-20/h3-12H,2H2,1H3
InChIKeyNEQAOIGAFCOAGP-UHFFFAOYSA-N
XLogP3.24
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide
CID 67599560
ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate
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ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 54292965
ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate
CID 24705692
2-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91385199
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485697
ethyl 2-(4-imidazol-1-ylanilino)-2-oxoacetate
CID 19438777
ethyl 3-imidazol-1-yl-2-nitrobenzoate
CID 59587735
ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249
(4-imidazol-1-ylphenyl) acetate
CID 594823
ethyl 1-[4-[(4-imidazol-1-ylphenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 55651692

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate (CID 47083356) is ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate is CCOC(=O)c1cccnc1Oc1ccc(-n2ccnc2)cc1.
What is the InChIKey of ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate?
The InChIKey is NEQAOIGAFCOAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-2-22-17(21)15-4-3-9-19-16(15)23-14-7-5-13(6-8-14)20-11-10-18-12-20/h3-12H,2H2,1H3.
What are the key properties of ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate?
ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate has a molecular weight of 309.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 47083356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).