2-(6-chloro-2-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide

C11H10ClFN2O2 — CID 51040988

IUPAC2-(6-chloro-2-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide
SMILESO=C(Cc1ccc(Cl)nc1F)NC1CCC1=O
InChIInChI=1S/C11H10ClFN2O2/c12-9-4-1-6(11(13)15-9)5-10(17)14-7-2-3-8(7)16/h1,4,7H,2-3,5H2,(H,14,17)
InChIKeyBAQBECCOWODPMP-UHFFFAOYSA-N
MW256.66 g/mol
LogP1.26
Rot. Bonds3

About 2-(6-chloro-2-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide

2-(6-chloro-2-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide (PubChem CID 51040988) has the molecular formula C11H10ClFN2O2 and a molecular weight of 256.66 g/mol. Its IUPAC name is 2-(6-chloro-2-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide
PubChem CID51040988
Molecular FormulaC11H10ClFN2O2
Molecular Weight256.66 g/mol
Exact Mass256.04
IUPAC Name2-(6-chloro-2-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide
SMILESO=C(Cc1ccc(Cl)nc1F)NC1CCC1=O
InChIInChI=1S/C11H10ClFN2O2/c12-9-4-1-6(11(13)15-9)5-10(17)14-7-2-3-8(7)16/h1,4,7H,2-3,5H2,(H,14,17)
InChIKeyBAQBECCOWODPMP-UHFFFAOYSA-N
XLogP1.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide?
The IUPAC name of 2-(6-chloro-2-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide (CID 51040988) is 2-(6-chloro-2-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide?
The canonical SMILES for 2-(6-chloro-2-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide is O=C(Cc1ccc(Cl)nc1F)NC1CCC1=O.
What is the InChIKey of 2-(6-chloro-2-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide?
The InChIKey is BAQBECCOWODPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2/c12-9-4-1-6(11(13)15-9)5-10(17)14-7-2-3-8(7)16/h1,4,7H,2-3,5H2,(H,14,17).
What are the key properties of 2-(6-chloro-2-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide?
2-(6-chloro-2-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide has a molecular weight of 256.66 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-fluoro-3-pyridinyl)-N-(2-oxocyclobutyl)acetamide is sourced from PubChem (CID 51040988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).