3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid

C9H9NO5 — CID 170823749

IUPAC3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESO=Cc1ccc(C(O)C(O)C(=O)O)nc1
InChIInChI=1S/C9H9NO5/c11-4-5-1-2-6(10-3-5)7(12)8(13)9(14)15/h1-4,7-8,12-13H,(H,14,15)
InChIKeyAJVFVAYTPPJOFA-UHFFFAOYSA-N
MW211.17 g/mol
LogP-0.63
Rot. Bonds4

About 3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid

3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid (PubChem CID 170823749) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid
PubChem CID170823749
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESO=Cc1ccc(C(O)C(O)C(=O)O)nc1
InChIInChI=1S/C9H9NO5/c11-4-5-1-2-6(10-3-5)7(12)8(13)9(14)15/h1-4,7-8,12-13H,(H,14,15)
InChIKeyAJVFVAYTPPJOFA-UHFFFAOYSA-N
XLogP-0.63
TPSA107.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde
CID 171872080
3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid
CID 170823875
benzaldehyde;2,3-dihydroxybutanedioic acid
CID 159567937
6-(3-phenylpropanoyl)pyridine-3-carbaldehyde
CID 19754544
ethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide
CID 162722759
ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865586
3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide
CID 171867942
2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid
CID 170823470
2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde
CID 174969786
3-(6-chloropyrazin-2-yl)-2,3-dihydroxypropanoic acid
CID 76696734
3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823447
ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate
CID 171865893

Frequently Asked Questions

What is the IUPAC name of 3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid (CID 170823749) is 3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid is O=Cc1ccc(C(O)C(O)C(=O)O)nc1.
What is the InChIKey of 3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid?
The InChIKey is AJVFVAYTPPJOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c11-4-5-1-2-6(10-3-5)7(12)8(13)9(14)15/h1-4,7-8,12-13H,(H,14,15).
What are the key properties of 3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid?
3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid has a molecular weight of 211.17 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170823749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).