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

C6H7NO3 — CID 135416934

IUPAC4-hydroxy-2,3-dihydropyridine-5-carboxylic acid
SMILESO=C(O)C1=C(O)CCN=C1
InChIInChI=1S/C6H7NO3/c8-5-1-2-7-3-4(5)6(9)10/h3,8H,1-2H2,(H,9,10)
InChIKeyGHGWRAXOUFDCLG-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.36
Rot. Bonds1

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

4-hydroxy-2,3-dihydropyridine-5-carboxylic acid (PubChem CID 135416934) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-hydroxy-2,3-dihydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2,3-dihydropyridine-5-carboxylic acid
PubChem CID135416934
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name4-hydroxy-2,3-dihydropyridine-5-carboxylic acid
SMILESO=C(O)C1=C(O)CCN=C1
InChIInChI=1S/C6H7NO3/c8-5-1-2-7-3-4(5)6(9)10/h3,8H,1-2H2,(H,9,10)
InChIKeyGHGWRAXOUFDCLG-UHFFFAOYSA-N
XLogP0.36
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydropyridine-5-carboxylic acid
CID 54446559
3H-pyridin-1-ium-5-carboxylic acid
CID 57022444
3-oxo-2H-pyridine-5-carboxylic acid
CID 57367129
(E)-2-methyl-3-(methyliminomethyl)pent-2-enoic acid
CID 129171376
2-(Acetyliminomethyl)-3-hydroxypent-2-enoic acid
CID 136118776
4-hydroxy-6-sulfanylidene-3H-pyridine-5-carboxylic acid
CID 136447309
(E)-3-methyl-2-(methyliminomethyl)pent-2-enoic acid
CID 142226028
2,4-Dihydroxy-2,3-dihydropyridine-5-carboxylic acid
CID 163445241
Methyl 4-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 137209924
5,5-Dimethyl-4,6-dioxo-1,4,5,6-tetrahydropyridine-3-carboxylic acid
CID 165862103

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-dihydropyridine-5-carboxylic acid?
The IUPAC name of 4-hydroxy-2,3-dihydropyridine-5-carboxylic acid (CID 135416934) is 4-hydroxy-2,3-dihydropyridine-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2,3-dihydropyridine-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-2,3-dihydropyridine-5-carboxylic acid is O=C(O)C1=C(O)CCN=C1.
What is the InChIKey of 4-hydroxy-2,3-dihydropyridine-5-carboxylic acid?
The InChIKey is GHGWRAXOUFDCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-5-1-2-7-3-4(5)6(9)10/h3,8H,1-2H2,(H,9,10).
What are the key properties of 4-hydroxy-2,3-dihydropyridine-5-carboxylic acid?
4-hydroxy-2,3-dihydropyridine-5-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-dihydropyridine-5-carboxylic acid is sourced from PubChem (CID 135416934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).