2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid

C9H9NO6 — CID 170824061

IUPAC2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(O)C(O)C(=O)O
InChIInChI=1S/C9H9NO6/c11-6(7(12)9(15)16)5-4(8(13)14)2-1-3-10-5/h1-3,6-7,11-12H,(H,13,14)(H,15,16)
InChIKeyXREYYBQHIRYRQR-UHFFFAOYSA-N
MW227.17 g/mol
LogP-0.74
Rot. Bonds4

About 2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid

2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid (PubChem CID 170824061) has the molecular formula C9H9NO6 and a molecular weight of 227.17 g/mol. Its IUPAC name is 2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid
PubChem CID170824061
Molecular FormulaC9H9NO6
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(O)C(O)C(=O)O
InChIInChI=1S/C9H9NO6/c11-6(7(12)9(15)16)5-4(8(13)14)2-1-3-10-5/h1-3,6-7,11-12H,(H,13,14)(H,15,16)
InChIKeyXREYYBQHIRYRQR-UHFFFAOYSA-N
XLogP-0.74
TPSA127.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dihydroxymethyl)pyridine-3-carboxylic acid
CID 91298462
2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid
CID 171866199
2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid
CID 171881352
3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823452
2-(2-cyano-1,2-dihydroxyethyl)pyridine-3-carboxylic acid
CID 171870325
2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid
CID 170824385
2-(1-amino-2-hydroxyethyl)pyridine-3-carboxylic acid
CID 55293543
2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]pyridine-3-carboxylic acid
CID 171856017
2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
CID 170823469
pyridine-2,3-dicarboxylic acid
CID 1066
2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid
CID 170823762
2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid
CID 174445183

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid (CID 170824061) is 2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(O)C(O)C(=O)O.
What is the InChIKey of 2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid?
The InChIKey is XREYYBQHIRYRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO6/c11-6(7(12)9(15)16)5-4(8(13)14)2-1-3-10-5/h1-3,6-7,11-12H,(H,13,14)(H,15,16).
What are the key properties of 2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid?
2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid has a molecular weight of 227.17 g/mol, XLogP of -0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 170824061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).