methyl 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate

C16H15NO5 — CID 139511659

IUPACmethyl 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(COc2ccc(OC)cc2C=O)n1
InChIInChI=1S/C16H15NO5/c1-20-13-6-7-15(11(8-13)9-18)22-10-12-4-3-5-14(17-12)16(19)21-2/h3-9H,10H2,1-2H3
InChIKeyHVFGSCVHJHUWLO-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.27
Rot. Bonds6

About methyl 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate

methyl 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate (PubChem CID 139511659) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate
PubChem CID139511659
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Namemethyl 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(COc2ccc(OC)cc2C=O)n1
InChIInChI=1S/C16H15NO5/c1-20-13-6-7-15(11(8-13)9-18)22-10-12-4-3-5-14(17-12)16(19)21-2/h3-9H,10H2,1-2H3
InChIKeyHVFGSCVHJHUWLO-UHFFFAOYSA-N
XLogP2.27
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
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 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate (CID 139511659) is methyl 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(COc2ccc(OC)cc2C=O)n1.
What is the InChIKey of methyl 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate?
The InChIKey is HVFGSCVHJHUWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-20-13-6-7-15(11(8-13)9-18)22-10-12-4-3-5-14(17-12)16(19)21-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate?
methyl 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate has a molecular weight of 301.30 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-formyl-4-methoxyphenoxy)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 139511659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).