5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid

C15H14N2O5 — CID 146401797

IUPAC5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid
SMILESCOc1cc(C=O)c(OCc2cnc(C)c(C(=O)O)c2)cn1
InChIInChI=1S/C15H14N2O5/c1-9-12(15(19)20)3-10(5-16-9)8-22-13-6-17-14(21-2)4-11(13)7-18/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyMWXXVKAECXDBFU-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.88
Rot. Bonds6

About 5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid

5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 146401797) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid
PubChem CID146401797
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid
SMILESCOc1cc(C=O)c(OCc2cnc(C)c(C(=O)O)c2)cn1
InChIInChI=1S/C15H14N2O5/c1-9-12(15(19)20)3-10(5-16-9)8-22-13-6-17-14(21-2)4-11(13)7-18/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyMWXXVKAECXDBFU-UHFFFAOYSA-N
XLogP1.88
TPSA98.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.88
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 5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid (CID 146401797) is 5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid is COc1cc(C=O)c(OCc2cnc(C)c(C(=O)O)c2)cn1.
What is the InChIKey of 5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is MWXXVKAECXDBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-9-12(15(19)20)3-10(5-16-9)8-22-13-6-17-14(21-2)4-11(13)7-18/h3-7H,8H2,1-2H3,(H,19,20).
What are the key properties of 5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid?
5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 146401797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).