methyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate

C15H13NO5 — CID 139511706

IUPACmethyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(COc2cccc(O)c2C=O)cn1
InChIInChI=1S/C15H13NO5/c1-20-15(19)12-6-5-10(7-16-12)9-21-14-4-2-3-13(18)11(14)8-17/h2-8,18H,9H2,1H3
InChIKeyDLDXLADOMAMLSJ-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.97
Rot. Bonds5

About methyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate

methyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate (PubChem CID 139511706) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is methyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate
PubChem CID139511706
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Namemethyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(COc2cccc(O)c2C=O)cn1
InChIInChI=1S/C15H13NO5/c1-20-15(19)12-6-5-10(7-16-12)9-21-14-4-2-3-13(18)11(14)8-17/h2-8,18H,9H2,1H3
InChIKeyDLDXLADOMAMLSJ-UHFFFAOYSA-N
XLogP1.97
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate (CID 139511706) is methyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate is COC(=O)c1ccc(COc2cccc(O)c2C=O)cn1.
What is the InChIKey of methyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate?
The InChIKey is DLDXLADOMAMLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-20-15(19)12-6-5-10(7-16-12)9-21-14-4-2-3-13(18)11(14)8-17/h2-8,18H,9H2,1H3.
What are the key properties of methyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate?
methyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate has a molecular weight of 287.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 139511706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).