ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate

C15H13NO4 — CID 54074518

IUPACethyl 2-(3-formylphenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1cccc(C=O)c1
InChIInChI=1S/C15H13NO4/c1-2-19-15(18)13-7-4-8-16-14(13)20-12-6-3-5-11(9-12)10-17/h3-10H,2H2,1H3
InChIKeyMITDTLJYIGFJQF-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.86
Rot. Bonds5

About ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate

ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate (PubChem CID 54074518) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-formylphenoxy)pyridine-3-carboxylate
PubChem CID54074518
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Nameethyl 2-(3-formylphenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1cccc(C=O)c1
InChIInChI=1S/C15H13NO4/c1-2-19-15(18)13-7-4-8-16-14(13)20-12-6-3-5-11(9-12)10-17/h3-10H,2H2,1H3
InChIKeyMITDTLJYIGFJQF-UHFFFAOYSA-N
XLogP2.86
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 54292965
ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate
CID 44764877
ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate
CID 44764821
ethyl 3-(3-formylphenoxy)-4-methoxybenzoate
CID 132822056
ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate
CID 24705692
ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate
CID 47083356
2-(3-hydroxyphenoxy)pyridine-3-carboxamide
CID 60870286
ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate
CID 107099524
2-(3-bromophenoxy)ethyl 2-ethoxypyridine-3-carboxylate
CID 55315242
(2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate
CID 18197147
ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate
CID 69206475
ethyl 5-ethyl-2-[(2-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylate
CID 2799306

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate (CID 54074518) is ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate is CCOC(=O)c1cccnc1Oc1cccc(C=O)c1.
What is the InChIKey of ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate?
The InChIKey is MITDTLJYIGFJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-2-19-15(18)13-7-4-8-16-14(13)20-12-6-3-5-11(9-12)10-17/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate?
ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate has a molecular weight of 271.27 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 54074518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).