1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one

C9H11ClN2O — CID 55272728

IUPAC1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one
SMILESCC(=O)C(N)c1cc(C)cnc1Cl
InChIInChI=1S/C9H11ClN2O/c1-5-3-7(8(11)6(2)13)9(10)12-4-5/h3-4,8H,11H2,1-2H3
InChIKeyNYJOCRJUXXHJLS-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.63
Rot. Bonds2

About 1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one

1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one (PubChem CID 55272728) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one
PubChem CID55272728
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one
SMILESCC(=O)C(N)c1cc(C)cnc1Cl
InChIInChI=1S/C9H11ClN2O/c1-5-3-7(8(11)6(2)13)9(10)12-4-5/h3-4,8H,11H2,1-2H3
InChIKeyNYJOCRJUXXHJLS-UHFFFAOYSA-N
XLogP1.63
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one 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 1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one?
The IUPAC name of 1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one (CID 55272728) is 1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one.
What is the SMILES notation for 1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one?
The canonical SMILES for 1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one is CC(=O)C(N)c1cc(C)cnc1Cl.
What is the InChIKey of 1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one?
The InChIKey is NYJOCRJUXXHJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-5-3-7(8(11)6(2)13)9(10)12-4-5/h3-4,8H,11H2,1-2H3.
What are the key properties of 1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one?
1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one has a molecular weight of 198.65 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-chloro-5-methyl-3-pyridinyl)propan-2-one is sourced from PubChem (CID 55272728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).