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

C6H9ClN2O — CID 57415882

IUPAC4-(aminomethyl)-1H-pyridin-2-one;hydrochloride
SMILESCl.NCc1cc[nH]c(=O)c1
InChIInChI=1S/C6H8N2O.ClH/c7-4-5-1-2-8-6(9)3-5;/h1-3H,4,7H2,(H,8,9);1H
InChIKeyDVFIMOMCHUUZTL-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.26
Rot. Bonds1

About 4-(aminomethyl)-1H-pyridin-2-one;hydrochloride

4-(aminomethyl)-1H-pyridin-2-one;hydrochloride (PubChem CID 57415882) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 4-(aminomethyl)-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-1H-pyridin-2-one;hydrochloride
PubChem CID57415882
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name4-(aminomethyl)-1H-pyridin-2-one;hydrochloride
SMILESCl.NCc1cc[nH]c(=O)c1
InChIInChI=1S/C6H8N2O.ClH/c7-4-5-1-2-8-6(9)3-5;/h1-3H,4,7H2,(H,8,9);1H
InChIKeyDVFIMOMCHUUZTL-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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 4-(aminomethyl)-1H-pyridin-2-one;hydrochloride (CID 57415882) is 4-(aminomethyl)-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-1H-pyridin-2-one;hydrochloride is Cl.NCc1cc[nH]c(=O)c1.
What is the InChIKey of 4-(aminomethyl)-1H-pyridin-2-one;hydrochloride?
The InChIKey is DVFIMOMCHUUZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.ClH/c7-4-5-1-2-8-6(9)3-5;/h1-3H,4,7H2,(H,8,9);1H.
What are the key properties of 4-(aminomethyl)-1H-pyridin-2-one;hydrochloride?
4-(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 4-(aminomethyl)-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 57415882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).