3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride

C6H8Cl2N2O — CID 118798102

IUPAC3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride
SMILESCl.NCc1cc(Cl)c[nH]c1=O
InChIInChI=1S/C6H7ClN2O.ClH/c7-5-1-4(2-8)6(10)9-3-5;/h1,3H,2,8H2,(H,9,10);1H
InChIKeyBPKVXBMYMXBKDC-UHFFFAOYSA-N
MW195.05 g/mol
LogP0.91
Rot. Bonds1

About 3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride

3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride (PubChem CID 118798102) has the molecular formula C6H8Cl2N2O and a molecular weight of 195.05 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride
PubChem CID118798102
Molecular FormulaC6H8Cl2N2O
Molecular Weight195.05 g/mol
Exact Mass194.00
IUPAC Name3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride
SMILESCl.NCc1cc(Cl)c[nH]c1=O
InChIInChI=1S/C6H7ClN2O.ClH/c7-5-1-4(2-8)6(10)9-3-5;/h1,3H,2,8H2,(H,9,10);1H
InChIKeyBPKVXBMYMXBKDC-UHFFFAOYSA-N
XLogP0.91
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.05
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-5-chloro-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 3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride (CID 118798102) is 3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride is Cl.NCc1cc(Cl)c[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride?
The InChIKey is BPKVXBMYMXBKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O.ClH/c7-5-1-4(2-8)6(10)9-3-5;/h1,3H,2,8H2,(H,9,10);1H.
What are the key properties of 3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride?
3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride has a molecular weight of 195.05 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 118798102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).