2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-3H-isoindol-1-one

C16H9ClFN3O2 — CID 21444357

IUPAC2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccc(F)cc2C(O)N1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C16H9ClFN3O2/c17-12-5-1-8-2-6-13(20-14(8)19-12)21-15(22)10-4-3-9(18)7-11(10)16(21)23/h1-7,16,23H
InChIKeyFTLXOHUMYOHHER-UHFFFAOYSA-N
MW329.72 g/mol
LogP3.07
Rot. Bonds1

About 2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-3H-isoindol-1-one

2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-3H-isoindol-1-one (PubChem CID 21444357) has the molecular formula C16H9ClFN3O2 and a molecular weight of 329.72 g/mol. Its IUPAC name is 2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-3H-isoindol-1-one
PubChem CID21444357
Molecular FormulaC16H9ClFN3O2
Molecular Weight329.72 g/mol
Exact Mass329.04
IUPAC Name2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccc(F)cc2C(O)N1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C16H9ClFN3O2/c17-12-5-1-8-2-6-13(20-14(8)19-12)21-15(22)10-4-3-9(18)7-11(10)16(21)23/h1-7,16,23H
InChIKeyFTLXOHUMYOHHER-UHFFFAOYSA-N
XLogP3.07
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.72
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-3H-isoindol-1-one (CID 21444357) is 2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-3H-isoindol-1-one is O=C1c2ccc(F)cc2C(O)N1c1ccc2ccc(Cl)nc2n1.
What is the InChIKey of 2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-3H-isoindol-1-one?
The InChIKey is FTLXOHUMYOHHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN3O2/c17-12-5-1-8-2-6-13(20-14(8)19-12)21-15(22)10-4-3-9(18)7-11(10)16(21)23/h1-7,16,23H.
What are the key properties of 2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-3H-isoindol-1-one?
2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-3H-isoindol-1-one has a molecular weight of 329.72 g/mol, XLogP of 3.07, 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)-5-fluoro-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 21444357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).