4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride

C7H12ClNO3 — CID 68513724

IUPAC4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
SMILESCN1CCC(O)=C(C(=O)O)C1.Cl
InChIInChI=1S/C7H11NO3.ClH/c1-8-3-2-6(9)5(4-8)7(10)11;/h9H,2-4H2,1H3,(H,10,11);1H
InChIKeyOFERQTBGKDTDNQ-UHFFFAOYSA-N
MW193.63 g/mol
LogP0.64
Rot. Bonds1

About 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride

4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride (PubChem CID 68513724) has the molecular formula C7H12ClNO3 and a molecular weight of 193.63 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
PubChem CID68513724
Molecular FormulaC7H12ClNO3
Molecular Weight193.63 g/mol
Exact Mass193.05
IUPAC Name4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
SMILESCN1CCC(O)=C(C(=O)O)C1.Cl
InChIInChI=1S/C7H11NO3.ClH/c1-8-3-2-6(9)5(4-8)7(10)11;/h9H,2-4H2,1H3,(H,10,11);1H
InChIKeyOFERQTBGKDTDNQ-UHFFFAOYSA-N
XLogP0.64
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride 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 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
The IUPAC name of 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride (CID 68513724) is 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
The canonical SMILES for 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride is CN1CCC(O)=C(C(=O)O)C1.Cl.
What is the InChIKey of 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
The InChIKey is OFERQTBGKDTDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.ClH/c1-8-3-2-6(9)5(4-8)7(10)11;/h9H,2-4H2,1H3,(H,10,11);1H.
What are the key properties of 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride has a molecular weight of 193.63 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 68513724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).