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

C6H10Cl2N2O — CID 71758002

IUPAC6-(aminomethyl)-1H-pyridin-2-one;dihydrochloride
SMILESCl.Cl.NCc1cccc(=O)[nH]1
InChIInChI=1S/C6H8N2O.2ClH/c7-4-5-2-1-3-6(9)8-5;;/h1-3H,4,7H2,(H,8,9);2*1H
InChIKeyCUXNMSGDOMEVOX-UHFFFAOYSA-N
MW197.07 g/mol
LogP0.68
Rot. Bonds1

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

6-(aminomethyl)-1H-pyridin-2-one;dihydrochloride (PubChem CID 71758002) has the molecular formula C6H10Cl2N2O and a molecular weight of 197.07 g/mol. Its IUPAC name is 6-(aminomethyl)-1H-pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)-1H-pyridin-2-one;dihydrochloride
PubChem CID71758002
Molecular FormulaC6H10Cl2N2O
Molecular Weight197.07 g/mol
Exact Mass196.02
IUPAC Name6-(aminomethyl)-1H-pyridin-2-one;dihydrochloride
SMILESCl.Cl.NCc1cccc(=O)[nH]1
InChIInChI=1S/C6H8N2O.2ClH/c7-4-5-2-1-3-6(9)8-5;;/h1-3H,4,7H2,(H,8,9);2*1H
InChIKeyCUXNMSGDOMEVOX-UHFFFAOYSA-N
XLogP0.68
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.07
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(aminomethyl)-1H-pyridin-2-one;dihydrochloride 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;dihydrochloride?
The IUPAC name of 6-(aminomethyl)-1H-pyridin-2-one;dihydrochloride (CID 71758002) is 6-(aminomethyl)-1H-pyridin-2-one;dihydrochloride.
What is the SMILES notation for 6-(aminomethyl)-1H-pyridin-2-one;dihydrochloride?
The canonical SMILES for 6-(aminomethyl)-1H-pyridin-2-one;dihydrochloride is Cl.Cl.NCc1cccc(=O)[nH]1.
What is the InChIKey of 6-(aminomethyl)-1H-pyridin-2-one;dihydrochloride?
The InChIKey is CUXNMSGDOMEVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.2ClH/c7-4-5-2-1-3-6(9)8-5;;/h1-3H,4,7H2,(H,8,9);2*1H.
What are the key properties of 6-(aminomethyl)-1H-pyridin-2-one;dihydrochloride?
6-(aminomethyl)-1H-pyridin-2-one;dihydrochloride has a molecular weight of 197.07 g/mol, XLogP of 0.68, 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;dihydrochloride is sourced from PubChem (CID 71758002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).