2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide

C9H11ClN2O — CID 131153860

IUPAC2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Cl)nc1C
InChIInChI=1S/C9H11ClN2O/c1-6-7(5-9(13)11-2)3-4-8(10)12-6/h3-4H,5H2,1-2H3,(H,11,13)
InChIKeyWMUCRUWILTZMNN-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.33
Rot. Bonds2

About 2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide

2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide (PubChem CID 131153860) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide
PubChem CID131153860
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Cl)nc1C
InChIInChI=1S/C9H11ClN2O/c1-6-7(5-9(13)11-2)3-4-8(10)12-6/h3-4H,5H2,1-2H3,(H,11,13)
InChIKeyWMUCRUWILTZMNN-UHFFFAOYSA-N
XLogP1.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide?
The IUPAC name of 2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide (CID 131153860) is 2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide.
What is the SMILES notation for 2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide?
The canonical SMILES for 2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide is CNC(=O)Cc1ccc(Cl)nc1C.
What is the InChIKey of 2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide?
The InChIKey is WMUCRUWILTZMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-6-7(5-9(13)11-2)3-4-8(10)12-6/h3-4H,5H2,1-2H3,(H,11,13).
What are the key properties of 2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide?
2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide has a molecular weight of 198.65 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide is sourced from PubChem (CID 131153860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).