3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one

C18H13Cl2FN2O — CID 142405829

IUPAC3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one
SMILESCCn1c(-c2ccc(F)cc2)c(-c2cccnc2Cl)cc(Cl)c1=O
InChIInChI=1S/C18H13Cl2FN2O/c1-2-23-16(11-5-7-12(21)8-6-11)14(10-15(19)18(23)24)13-4-3-9-22-17(13)20/h3-10H,2H2,1H3
InChIKeyOBLDEQWTCATGAF-UHFFFAOYSA-N
MW363.22 g/mol
LogP5.04
Rot. Bonds3

About 3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one

3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one (PubChem CID 142405829) has the molecular formula C18H13Cl2FN2O and a molecular weight of 363.22 g/mol. Its IUPAC name is 3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one
PubChem CID142405829
Molecular FormulaC18H13Cl2FN2O
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC Name3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one
SMILESCCn1c(-c2ccc(F)cc2)c(-c2cccnc2Cl)cc(Cl)c1=O
InChIInChI=1S/C18H13Cl2FN2O/c1-2-23-16(11-5-7-12(21)8-6-11)14(10-15(19)18(23)24)13-4-3-9-22-17(13)20/h3-10H,2H2,1H3
InChIKeyOBLDEQWTCATGAF-UHFFFAOYSA-N
XLogP5.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.22
LogP ≤ 55.04
H-Bond Donors ≤ 50
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 3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one?
The IUPAC name of 3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one (CID 142405829) is 3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one?
The canonical SMILES for 3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one is CCn1c(-c2ccc(F)cc2)c(-c2cccnc2Cl)cc(Cl)c1=O.
What is the InChIKey of 3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one?
The InChIKey is OBLDEQWTCATGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O/c1-2-23-16(11-5-7-12(21)8-6-11)14(10-15(19)18(23)24)13-4-3-9-22-17(13)20/h3-10H,2H2,1H3.
What are the key properties of 3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one?
3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one has a molecular weight of 363.22 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 142405829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).