2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid

C6H7NO4 — CID 163445241

IUPAC2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid
SMILESO=C(O)C1=C(O)CC(O)N=C1
InChIInChI=1S/C6H7NO4/c8-4-1-5(9)7-2-3(4)6(10)11/h2,5,8-9H,1H2,(H,10,11)
InChIKeyBBYGNUJFIKSLNL-UHFFFAOYSA-N
MW157.12 g/mol
LogP-0.32
Rot. Bonds1

About 2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid

2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid (PubChem CID 163445241) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid
PubChem CID163445241
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid
SMILESO=C(O)C1=C(O)CC(O)N=C1
InChIInChI=1S/C6H7NO4/c8-4-1-5(9)7-2-3(4)6(10)11/h2,5,8-9H,1H2,(H,10,11)
InChIKeyBBYGNUJFIKSLNL-UHFFFAOYSA-N
XLogP-0.32
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid?
The IUPAC name of 2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid (CID 163445241) is 2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid.
What is the SMILES notation for 2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid?
The canonical SMILES for 2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid is O=C(O)C1=C(O)CC(O)N=C1.
What is the InChIKey of 2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid?
The InChIKey is BBYGNUJFIKSLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c8-4-1-5(9)7-2-3(4)6(10)11/h2,5,8-9H,1H2,(H,10,11).
What are the key properties of 2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid?
2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid has a molecular weight of 157.12 g/mol, XLogP of -0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-2,3-dihydropyridine-5-carboxylic acid is sourced from PubChem (CID 163445241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).