6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one

C11H6ClF5N2O — CID 156803657

IUPAC6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one
SMILESO=c1ccc2cc(Cl)ncc2n1CC(F)(F)C(F)(F)F
InChIInChI=1S/C11H6ClF5N2O/c12-8-3-6-1-2-9(20)19(7(6)4-18-8)5-10(13,14)11(15,16)17/h1-4H,5H2
InChIKeyHAVZOLXKJYUHGR-UHFFFAOYSA-N
MW312.62 g/mol
LogP3.25
Rot. Bonds2

About 6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one

6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one (PubChem CID 156803657) has the molecular formula C11H6ClF5N2O and a molecular weight of 312.62 g/mol. Its IUPAC name is 6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one
PubChem CID156803657
Molecular FormulaC11H6ClF5N2O
Molecular Weight312.62 g/mol
Exact Mass312.01
IUPAC Name6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one
SMILESO=c1ccc2cc(Cl)ncc2n1CC(F)(F)C(F)(F)F
InChIInChI=1S/C11H6ClF5N2O/c12-8-3-6-1-2-9(20)19(7(6)4-18-8)5-10(13,14)11(15,16)17/h1-4H,5H2
InChIKeyHAVZOLXKJYUHGR-UHFFFAOYSA-N
XLogP3.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one?
The IUPAC name of 6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one (CID 156803657) is 6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one.
What is the SMILES notation for 6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one?
The canonical SMILES for 6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one is O=c1ccc2cc(Cl)ncc2n1CC(F)(F)C(F)(F)F.
What is the InChIKey of 6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one?
The InChIKey is HAVZOLXKJYUHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF5N2O/c12-8-3-6-1-2-9(20)19(7(6)4-18-8)5-10(13,14)11(15,16)17/h1-4H,5H2.
What are the key properties of 6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one?
6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one has a molecular weight of 312.62 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,2,3,3,3-pentafluoropropyl)-1,7-naphthyridin-2-one is sourced from PubChem (CID 156803657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).