2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide

C8H9ClN2O2 — CID 60932786

IUPAC2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
SMILESCn1cc(NC(=O)CCl)ccc1=O
InChIInChI=1S/C8H9ClN2O2/c1-11-5-6(2-3-8(11)13)10-7(12)4-9/h2-3,5H,4H2,1H3,(H,10,12)
InChIKeyDPOXGJCIPBSXOP-UHFFFAOYSA-N
MW200.62 g/mol
LogP0.56
Rot. Bonds2

About 2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide

2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide (PubChem CID 60932786) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
PubChem CID60932786
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
SMILESCn1cc(NC(=O)CCl)ccc1=O
InChIInChI=1S/C8H9ClN2O2/c1-11-5-6(2-3-8(11)13)10-7(12)4-9/h2-3,5H,4H2,1H3,(H,10,12)
InChIKeyDPOXGJCIPBSXOP-UHFFFAOYSA-N
XLogP0.56
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
The IUPAC name of 2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide (CID 60932786) is 2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
The canonical SMILES for 2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide is Cn1cc(NC(=O)CCl)ccc1=O.
What is the InChIKey of 2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
The InChIKey is DPOXGJCIPBSXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-11-5-6(2-3-8(11)13)10-7(12)4-9/h2-3,5H,4H2,1H3,(H,10,12).
What are the key properties of 2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide has a molecular weight of 200.62 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)acetamide is sourced from PubChem (CID 60932786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).