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

C9H11ClN2O — CID 167350489

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Cl)nc1C
InChIInChI=1S/C9H11ClN2O/c1-6-8(12(3)7(2)13)4-5-9(10)11-6/h4-5H,1-3H3
InChIKeyQHZYROXGRLDNGG-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.03
Rot. Bonds1

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

N-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide (PubChem CID 167350489) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide
PubChem CID167350489
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Cl)nc1C
InChIInChI=1S/C9H11ClN2O/c1-6-8(12(3)7(2)13)4-5-9(10)11-6/h4-5H,1-3H3
InChIKeyQHZYROXGRLDNGG-UHFFFAOYSA-N
XLogP2.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.03
H-Bond Donors ≤ 50
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 N-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide (CID 167350489) is N-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide is CC(=O)N(C)c1ccc(Cl)nc1C.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide?
The InChIKey is QHZYROXGRLDNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-6-8(12(3)7(2)13)4-5-9(10)11-6/h4-5H,1-3H3.
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide?
N-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide has a molecular weight of 198.65 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide is sourced from PubChem (CID 167350489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).