dimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate

C9H11NO5 — CID 70373888

IUPACdimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate
SMILESCOC(=O)C1=CNC(O)(C(=O)OC)C=C1
InChIInChI=1S/C9H11NO5/c1-14-7(11)6-3-4-9(13,10-5-6)8(12)15-2/h3-5,10,13H,1-2H3
InChIKeyNYHHKZNHLAVHRI-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.94
Rot. Bonds2

About dimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate

dimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate (PubChem CID 70373888) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is dimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate
PubChem CID70373888
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Namedimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate
SMILESCOC(=O)C1=CNC(O)(C(=O)OC)C=C1
InChIInChI=1S/C9H11NO5/c1-14-7(11)6-3-4-9(13,10-5-6)8(12)15-2/h3-5,10,13H,1-2H3
InChIKeyNYHHKZNHLAVHRI-UHFFFAOYSA-N
XLogP-0.94
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate?
The IUPAC name of dimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate (CID 70373888) is dimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate?
The canonical SMILES for dimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate is COC(=O)C1=CNC(O)(C(=O)OC)C=C1.
What is the InChIKey of dimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate?
The InChIKey is NYHHKZNHLAVHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-14-7(11)6-3-4-9(13,10-5-6)8(12)15-2/h3-5,10,13H,1-2H3.
What are the key properties of dimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate?
dimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate has a molecular weight of 213.19 g/mol, XLogP of -0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate is sourced from PubChem (CID 70373888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).