2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride

C13H16ClNO2 — CID 82524358

IUPAC2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride
SMILESCC(C)c1ccc(CC(=O)Cl)c(=O)n1C1CC1
InChIInChI=1S/C13H16ClNO2/c1-8(2)11-6-3-9(7-12(14)16)13(17)15(11)10-4-5-10/h3,6,8,10H,4-5,7H2,1-2H3
InChIKeyGVORGGHIMXKVCC-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.61
Rot. Bonds4

About 2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride

2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride (PubChem CID 82524358) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride.

Molecular Properties

Compound Name2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride
PubChem CID82524358
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride
SMILESCC(C)c1ccc(CC(=O)Cl)c(=O)n1C1CC1
InChIInChI=1S/C13H16ClNO2/c1-8(2)11-6-3-9(7-12(14)16)13(17)15(11)10-4-5-10/h3,6,8,10H,4-5,7H2,1-2H3
InChIKeyGVORGGHIMXKVCC-UHFFFAOYSA-N
XLogP2.61
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride?
The IUPAC name of 2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride (CID 82524358) is 2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride.
What is the SMILES notation for 2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride?
The canonical SMILES for 2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride is CC(C)c1ccc(CC(=O)Cl)c(=O)n1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride?
The InChIKey is GVORGGHIMXKVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-8(2)11-6-3-9(7-12(14)16)13(17)15(11)10-4-5-10/h3,6,8,10H,4-5,7H2,1-2H3.
What are the key properties of 2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride?
2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride has a molecular weight of 253.73 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-2-oxo-6-propan-2-yl-3-pyridinyl)acetyl chloride is sourced from PubChem (CID 82524358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).