2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid

C7H9NO3 — CID 155153021

IUPAC2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid
SMILESCN1C=C(C(=O)O)C=CC1O
InChIInChI=1S/C7H9NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h2-4,6,9H,1H3,(H,10,11)
InChIKeyJEJDQNOCYKHGLY-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.23
Rot. Bonds1

About 2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid

2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid (PubChem CID 155153021) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid
PubChem CID155153021
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid
SMILESCN1C=C(C(=O)O)C=CC1O
InChIInChI=1S/C7H9NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h2-4,6,9H,1H3,(H,10,11)
InChIKeyJEJDQNOCYKHGLY-UHFFFAOYSA-N
XLogP-0.23
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid?
The IUPAC name of 2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid (CID 155153021) is 2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid is CN1C=C(C(=O)O)C=CC1O.
What is the InChIKey of 2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid?
The InChIKey is JEJDQNOCYKHGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h2-4,6,9H,1H3,(H,10,11).
What are the key properties of 2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid?
2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid has a molecular weight of 155.15 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 155153021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).