2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride

C6H10ClNO2 — CID 67127599

IUPAC2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCC=N1
InChIInChI=1S/C6H9NO2.ClH/c8-6(9)5-3-1-2-4-7-5;/h4-5H,1-3H2,(H,8,9);1H
InChIKeyNDAMSRZSYPQASO-UHFFFAOYSA-N
MW163.60 g/mol
LogP1.12
Rot. Bonds1

About 2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride

2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride (PubChem CID 67127599) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is 2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride
PubChem CID67127599
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCC=N1
InChIInChI=1S/C6H9NO2.ClH/c8-6(9)5-3-1-2-4-7-5;/h4-5H,1-3H2,(H,8,9);1H
InChIKeyNDAMSRZSYPQASO-UHFFFAOYSA-N
XLogP1.12
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride (CID 67127599) is 2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCCC=N1.
What is the InChIKey of 2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride?
The InChIKey is NDAMSRZSYPQASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.ClH/c8-6(9)5-3-1-2-4-7-5;/h4-5H,1-3H2,(H,8,9);1H.
What are the key properties of 2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride?
2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride has a molecular weight of 163.60 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydropyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 67127599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).