6-(aminomethyl)-1H-pyridin-2-one;hydrochloride

C6H9ClN2O — CID 21243522

IUPAC6-(aminomethyl)-1H-pyridin-2-one;hydrochloride
SMILESCl.NCc1cccc(=O)[nH]1
InChIInChI=1S/C6H8N2O.ClH/c7-4-5-2-1-3-6(9)8-5;/h1-3H,4,7H2,(H,8,9);1H
InChIKeyHOMZDUVBYKVPOU-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.26
Rot. Bonds1

About 6-(aminomethyl)-1H-pyridin-2-one;hydrochloride

6-(aminomethyl)-1H-pyridin-2-one;hydrochloride (PubChem CID 21243522) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 6-(aminomethyl)-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)-1H-pyridin-2-one;hydrochloride
PubChem CID21243522
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name6-(aminomethyl)-1H-pyridin-2-one;hydrochloride
SMILESCl.NCc1cccc(=O)[nH]1
InChIInChI=1S/C6H8N2O.ClH/c7-4-5-2-1-3-6(9)8-5;/h1-3H,4,7H2,(H,8,9);1H
InChIKeyHOMZDUVBYKVPOU-UHFFFAOYSA-N
XLogP0.26
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(aminomethyl)-1H-pyridin-2-one;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 6-(aminomethyl)-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 6-(aminomethyl)-1H-pyridin-2-one;hydrochloride (CID 21243522) is 6-(aminomethyl)-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 6-(aminomethyl)-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 6-(aminomethyl)-1H-pyridin-2-one;hydrochloride is Cl.NCc1cccc(=O)[nH]1.
What is the InChIKey of 6-(aminomethyl)-1H-pyridin-2-one;hydrochloride?
The InChIKey is HOMZDUVBYKVPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.ClH/c7-4-5-2-1-3-6(9)8-5;/h1-3H,4,7H2,(H,8,9);1H.
What are the key properties of 6-(aminomethyl)-1H-pyridin-2-one;hydrochloride?
6-(aminomethyl)-1H-pyridin-2-one;hydrochloride has a molecular weight of 160.60 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 21243522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).