methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate

C15H13NO4 — CID 58835150

IUPACmethyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ncc(C=O)cc2C)cc1
InChIInChI=1S/C15H13NO4/c1-10-7-11(9-17)8-16-14(10)20-13-5-3-12(4-6-13)15(18)19-2/h3-9H,1-2H3
InChIKeyDPFSGLXROWNJIB-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.78
Rot. Bonds4

About methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate

methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate (PubChem CID 58835150) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate
PubChem CID58835150
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Namemethyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ncc(C=O)cc2C)cc1
InChIInChI=1S/C15H13NO4/c1-10-7-11(9-17)8-16-14(10)20-13-5-3-12(4-6-13)15(18)19-2/h3-9H,1-2H3
InChIKeyDPFSGLXROWNJIB-UHFFFAOYSA-N
XLogP2.78
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.78
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

6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 107709147
5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde
CID 80631386
6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 80631507
6-(3,5-difluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631634
6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 82716271
methyl 4-[2-(3-formylphenoxy)ethoxy]benzoate
CID 18526173
6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde
CID 80631733
methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate
CID 59849870
methyl 4-[(5-methyl-3-nitro-2-pyridinyl)oxy]benzoate
CID 66277880
methyl 4-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]oxybenzoate
CID 22544861
ethane;methyl 4-formylbenzoate
CID 91069506
5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde
CID 80631732

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate (CID 58835150) is methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate is COC(=O)c1ccc(Oc2ncc(C=O)cc2C)cc1.
What is the InChIKey of methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate?
The InChIKey is DPFSGLXROWNJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-10-7-11(9-17)8-16-14(10)20-13-5-3-12(4-6-13)15(18)19-2/h3-9H,1-2H3.
What are the key properties of methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate?
methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate has a molecular weight of 271.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate is sourced from PubChem (CID 58835150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).