3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one

C10H15ClN2O — CID 105468193

IUPAC3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one
SMILESCC(C)Cc1[nH]c(=O)c(CN)cc1Cl
InChIInChI=1S/C10H15ClN2O/c1-6(2)3-9-8(11)4-7(5-12)10(14)13-9/h4,6H,3,5,12H2,1-2H3,(H,13,14)
InChIKeyOJHSITKJSMFQIR-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.69
Rot. Bonds3

About 3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one

3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one (PubChem CID 105468193) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one
PubChem CID105468193
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one
SMILESCC(C)Cc1[nH]c(=O)c(CN)cc1Cl
InChIInChI=1S/C10H15ClN2O/c1-6(2)3-9-8(11)4-7(5-12)10(14)13-9/h4,6H,3,5,12H2,1-2H3,(H,13,14)
InChIKeyOJHSITKJSMFQIR-UHFFFAOYSA-N
XLogP1.69
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one (CID 105468193) is 3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one is CC(C)Cc1[nH]c(=O)c(CN)cc1Cl.
What is the InChIKey of 3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one?
The InChIKey is OJHSITKJSMFQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-6(2)3-9-8(11)4-7(5-12)10(14)13-9/h4,6H,3,5,12H2,1-2H3,(H,13,14).
What are the key properties of 3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one?
3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one has a molecular weight of 214.70 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-6-(2-methylpropyl)-1H-pyridin-2-one is sourced from PubChem (CID 105468193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).