dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate

C10H11NO5 — CID 11436049

IUPACdimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate
SMILESCOC(=O)c1cc(CO)cc(C(=O)OC)n1
InChIInChI=1S/C10H11NO5/c1-15-9(13)7-3-6(5-12)4-8(11-7)10(14)16-2/h3-4,12H,5H2,1-2H3
InChIKeyUJJJESXBXYFZCR-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.15
Rot. Bonds3

About dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate

dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate (PubChem CID 11436049) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate
PubChem CID11436049
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Namedimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate
SMILESCOC(=O)c1cc(CO)cc(C(=O)OC)n1
InChIInChI=1S/C10H11NO5/c1-15-9(13)7-3-6(5-12)4-8(11-7)10(14)16-2/h3-4,12H,5H2,1-2H3
InChIKeyUJJJESXBXYFZCR-UHFFFAOYSA-N
XLogP0.15
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate?
The IUPAC name of dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate (CID 11436049) is dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate?
The canonical SMILES for dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate is COC(=O)c1cc(CO)cc(C(=O)OC)n1.
What is the InChIKey of dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate?
The InChIKey is UJJJESXBXYFZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-15-9(13)7-3-6(5-12)4-8(11-7)10(14)16-2/h3-4,12H,5H2,1-2H3.
What are the key properties of dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate?
dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate has a molecular weight of 225.20 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate is sourced from PubChem (CID 11436049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).