6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride

C7H12Cl2N2O — CID 154814531

IUPAC6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride
SMILESCc1ccc(=O)[nH]c1CN.Cl.Cl
InChIInChI=1S/C7H10N2O.2ClH/c1-5-2-3-7(10)9-6(5)4-8;;/h2-3H,4,8H2,1H3,(H,9,10);2*1H
InChIKeyLAIBKWJEKSROMM-UHFFFAOYSA-N
MW211.09 g/mol
LogP0.99
Rot. Bonds1

About 6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride

6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride (PubChem CID 154814531) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is 6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride
PubChem CID154814531
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride
SMILESCc1ccc(=O)[nH]c1CN.Cl.Cl
InChIInChI=1S/C7H10N2O.2ClH/c1-5-2-3-7(10)9-6(5)4-8;;/h2-3H,4,8H2,1H3,(H,9,10);2*1H
InChIKeyLAIBKWJEKSROMM-UHFFFAOYSA-N
XLogP0.99
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(aminomethyl)-5-methyl-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)-5-methyl-1H-pyridin-2-one;dihydrochloride?
The IUPAC name of 6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride (CID 154814531) is 6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride.
What is the SMILES notation for 6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride?
The canonical SMILES for 6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride is Cc1ccc(=O)[nH]c1CN.Cl.Cl.
What is the InChIKey of 6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride?
The InChIKey is LAIBKWJEKSROMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.2ClH/c1-5-2-3-7(10)9-6(5)4-8;;/h2-3H,4,8H2,1H3,(H,9,10);2*1H.
What are the key properties of 6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride?
6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride has a molecular weight of 211.09 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride is sourced from PubChem (CID 154814531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).