4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid

C9H9NO5 — CID 138674000

IUPAC4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid
SMILESCC(O)c1cc(C(=O)O)nc(C(=O)O)c1
InChIInChI=1S/C9H9NO5/c1-4(11)5-2-6(8(12)13)10-7(3-5)9(14)15/h2-4,11H,1H3,(H,12,13)(H,14,15)
InChIKeyKGENDXKXPCNCTE-UHFFFAOYSA-N
MW211.17 g/mol
LogP0.53
Rot. Bonds3

About 4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid

4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid (PubChem CID 138674000) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid
PubChem CID138674000
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid
SMILESCC(O)c1cc(C(=O)O)nc(C(=O)O)c1
InChIInChI=1S/C9H9NO5/c1-4(11)5-2-6(8(12)13)10-7(3-5)9(14)15/h2-4,11H,1H3,(H,12,13)(H,14,15)
InChIKeyKGENDXKXPCNCTE-UHFFFAOYSA-N
XLogP0.53
TPSA107.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid (CID 138674000) is 4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid is CC(O)c1cc(C(=O)O)nc(C(=O)O)c1.
What is the InChIKey of 4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid?
The InChIKey is KGENDXKXPCNCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c1-4(11)5-2-6(8(12)13)10-7(3-5)9(14)15/h2-4,11H,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid?
4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid has a molecular weight of 211.17 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 138674000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).