3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one

C9H13ClN2O — CID 105453256

IUPAC3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1cc(Cl)cc(N)c1=O
InChIInChI=1S/C9H13ClN2O/c1-6(2)4-12-5-7(10)3-8(11)9(12)13/h3,5-6H,4,11H2,1-2H3
InChIKeyQCGPOBHENWSDSK-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.74
Rot. Bonds2

About 3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one

3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one (PubChem CID 105453256) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one
PubChem CID105453256
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1cc(Cl)cc(N)c1=O
InChIInChI=1S/C9H13ClN2O/c1-6(2)4-12-5-7(10)3-8(11)9(12)13/h3,5-6H,4,11H2,1-2H3
InChIKeyQCGPOBHENWSDSK-UHFFFAOYSA-N
XLogP1.74
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one (CID 105453256) is 3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one is CC(C)Cn1cc(Cl)cc(N)c1=O.
What is the InChIKey of 3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is QCGPOBHENWSDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-6(2)4-12-5-7(10)3-8(11)9(12)13/h3,5-6H,4,11H2,1-2H3.
What are the key properties of 3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one?
3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 200.67 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 105453256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).