6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid

C9H9NO5 — CID 19957489

IUPAC6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid
SMILESO=C(O)CCc1nc(C(=O)O)ccc1O
InChIInChI=1S/C9H9NO5/c11-7-3-1-6(9(14)15)10-5(7)2-4-8(12)13/h1,3,11H,2,4H2,(H,12,13)(H,14,15)
InChIKeyBQJGQRKTINSWTG-UHFFFAOYSA-N
MW211.17 g/mol
LogP0.50
Rot. Bonds4

About 6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid

6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid (PubChem CID 19957489) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid
PubChem CID19957489
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid
SMILESO=C(O)CCc1nc(C(=O)O)ccc1O
InChIInChI=1S/C9H9NO5/c11-7-3-1-6(9(14)15)10-5(7)2-4-8(12)13/h1,3,11H,2,4H2,(H,12,13)(H,14,15)
InChIKeyBQJGQRKTINSWTG-UHFFFAOYSA-N
XLogP0.50
TPSA107.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid?
The IUPAC name of 6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid (CID 19957489) is 6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid is O=C(O)CCc1nc(C(=O)O)ccc1O.
What is the InChIKey of 6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid?
The InChIKey is BQJGQRKTINSWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c11-7-3-1-6(9(14)15)10-5(7)2-4-8(12)13/h1,3,11H,2,4H2,(H,12,13)(H,14,15).
What are the key properties of 6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid?
6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid has a molecular weight of 211.17 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-carboxyethyl)-5-hydroxypyridine-2-carboxylic acid is sourced from PubChem (CID 19957489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).