methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate

C10H11NO5 — CID 86118216

IUPACmethyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(C=O)c(OC)nc1OC
InChIInChI=1S/C10H11NO5/c1-14-8-6(5-12)4-7(10(13)16-3)9(11-8)15-2/h4-5H,1-3H3
InChIKeyYDRDYPIKODOOTA-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.70
Rot. Bonds4

About methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate

methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate (PubChem CID 86118216) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate
PubChem CID86118216
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Namemethyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(C=O)c(OC)nc1OC
InChIInChI=1S/C10H11NO5/c1-14-8-6(5-12)4-7(10(13)16-3)9(11-8)15-2/h4-5H,1-3H3
InChIKeyYDRDYPIKODOOTA-UHFFFAOYSA-N
XLogP0.70
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.70
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 5-formyl-2,6-dimethoxypyridine-3-carboxylate?
The IUPAC name of methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate (CID 86118216) is methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate?
The canonical SMILES for methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate is COC(=O)c1cc(C=O)c(OC)nc1OC.
What is the InChIKey of methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate?
The InChIKey is YDRDYPIKODOOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-14-8-6(5-12)4-7(10(13)16-3)9(11-8)15-2/h4-5H,1-3H3.
What are the key properties of methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate?
methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate has a molecular weight of 225.20 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate is sourced from PubChem (CID 86118216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).