6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one

C15H10ClF3N2O2 — CID 176972275

IUPAC6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one
SMILESO=C(c1cc(F)ccc1-c1cc(Cl)[nH]c(=O)c1)N1CC(F)(F)C1
InChIInChI=1S/C15H10ClF3N2O2/c16-12-3-8(4-13(22)20-12)10-2-1-9(17)5-11(10)14(23)21-6-15(18,19)7-21/h1-5H,6-7H2,(H,20,22)
InChIKeyMQGNLFQXKNOOBZ-UHFFFAOYSA-N
MW342.70 g/mol
LogP2.93
Rot. Bonds2

About 6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one

6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one (PubChem CID 176972275) has the molecular formula C15H10ClF3N2O2 and a molecular weight of 342.70 g/mol. Its IUPAC name is 6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one
PubChem CID176972275
Molecular FormulaC15H10ClF3N2O2
Molecular Weight342.70 g/mol
Exact Mass342.04
IUPAC Name6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one
SMILESO=C(c1cc(F)ccc1-c1cc(Cl)[nH]c(=O)c1)N1CC(F)(F)C1
InChIInChI=1S/C15H10ClF3N2O2/c16-12-3-8(4-13(22)20-12)10-2-1-9(17)5-11(10)14(23)21-6-15(18,19)7-21/h1-5H,6-7H2,(H,20,22)
InChIKeyMQGNLFQXKNOOBZ-UHFFFAOYSA-N
XLogP2.93
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.70
LogP ≤ 52.93
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 6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one?
The IUPAC name of 6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one (CID 176972275) is 6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one is O=C(c1cc(F)ccc1-c1cc(Cl)[nH]c(=O)c1)N1CC(F)(F)C1.
What is the InChIKey of 6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one?
The InChIKey is MQGNLFQXKNOOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O2/c16-12-3-8(4-13(22)20-12)10-2-1-9(17)5-11(10)14(23)21-6-15(18,19)7-21/h1-5H,6-7H2,(H,20,22).
What are the key properties of 6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one?
6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one has a molecular weight of 342.70 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-1H-pyridin-2-one is sourced from PubChem (CID 176972275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).