2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one

C17H9ClF3N3O2 — CID 22754718

IUPAC2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one
SMILESO=C1c2cc(C(F)(F)F)ccc2C(O)N1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C17H9ClF3N3O2/c18-12-5-1-8-2-6-13(23-14(8)22-12)24-15(25)10-4-3-9(17(19,20)21)7-11(10)16(24)26/h1-7,15,25H
InChIKeyOJFGKHPNYXIDRK-UHFFFAOYSA-N
MW379.73 g/mol
LogP3.95
Rot. Bonds1

About 2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one

2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one (PubChem CID 22754718) has the molecular formula C17H9ClF3N3O2 and a molecular weight of 379.73 g/mol. Its IUPAC name is 2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one
PubChem CID22754718
Molecular FormulaC17H9ClF3N3O2
Molecular Weight379.73 g/mol
Exact Mass379.03
IUPAC Name2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one
SMILESO=C1c2cc(C(F)(F)F)ccc2C(O)N1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C17H9ClF3N3O2/c18-12-5-1-8-2-6-13(23-14(8)22-12)24-15(25)10-4-3-9(17(19,20)21)7-11(10)16(24)26/h1-7,15,25H
InChIKeyOJFGKHPNYXIDRK-UHFFFAOYSA-N
XLogP3.95
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.73
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one?
The IUPAC name of 2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one (CID 22754718) is 2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one?
The canonical SMILES for 2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one is O=C1c2cc(C(F)(F)F)ccc2C(O)N1c1ccc2ccc(Cl)nc2n1.
What is the InChIKey of 2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one?
The InChIKey is OJFGKHPNYXIDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3N3O2/c18-12-5-1-8-2-6-13(23-14(8)22-12)24-15(25)10-4-3-9(17(19,20)21)7-11(10)16(24)26/h1-7,15,25H.
What are the key properties of 2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one?
2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one has a molecular weight of 379.73 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,8-naphthyridin-2-yl)-3-hydroxy-6-(trifluoromethyl)-3H-isoindol-1-one is sourced from PubChem (CID 22754718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).