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

C6H7NO3 — CID 123579637

IUPAC2-hydroxy-2,3-dihydropyridine-5-carboxylic acid
SMILESO=C(O)C1=CCC(O)N=C1
InChIInChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h1,3,5,8H,2H2,(H,9,10)
InChIKeyFWSCWVRMOZSQDC-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.21
Rot. Bonds1

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

2-hydroxy-2,3-dihydropyridine-5-carboxylic acid (PubChem CID 123579637) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-hydroxy-2,3-dihydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-2,3-dihydropyridine-5-carboxylic acid
PubChem CID123579637
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name2-hydroxy-2,3-dihydropyridine-5-carboxylic acid
SMILESO=C(O)C1=CCC(O)N=C1
InChIInChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h1,3,5,8H,2H2,(H,9,10)
InChIKeyFWSCWVRMOZSQDC-UHFFFAOYSA-N
XLogP-0.21
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 ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,3-dihydropyridine-5-carboxylic acid?
The IUPAC name of 2-hydroxy-2,3-dihydropyridine-5-carboxylic acid (CID 123579637) is 2-hydroxy-2,3-dihydropyridine-5-carboxylic acid.
What is the SMILES notation for 2-hydroxy-2,3-dihydropyridine-5-carboxylic acid?
The canonical SMILES for 2-hydroxy-2,3-dihydropyridine-5-carboxylic acid is O=C(O)C1=CCC(O)N=C1.
What is the InChIKey of 2-hydroxy-2,3-dihydropyridine-5-carboxylic acid?
The InChIKey is FWSCWVRMOZSQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h1,3,5,8H,2H2,(H,9,10).
What are the key properties of 2-hydroxy-2,3-dihydropyridine-5-carboxylic acid?
2-hydroxy-2,3-dihydropyridine-5-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,3-dihydropyridine-5-carboxylic acid is sourced from PubChem (CID 123579637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).