2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione

C16H10FN3O3 — CID 58054480

IUPAC2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione
SMILESCOc1ccc(F)c2[nH]nc(N3C(=O)c4ccccc4C3=O)c12
InChIInChI=1S/C16H10FN3O3/c1-23-11-7-6-10(17)13-12(11)14(19-18-13)20-15(21)8-4-2-3-5-9(8)16(20)22/h2-7H,1H3,(H,18,19)
InChIKeyXFCBVBCCLMYSGC-UHFFFAOYSA-N
MW311.27 g/mol
LogP2.51
Rot. Bonds2

About 2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione

2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione (PubChem CID 58054480) has the molecular formula C16H10FN3O3 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione
PubChem CID58054480
Molecular FormulaC16H10FN3O3
Molecular Weight311.27 g/mol
Exact Mass311.07
IUPAC Name2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione
SMILESCOc1ccc(F)c2[nH]nc(N3C(=O)c4ccccc4C3=O)c12
InChIInChI=1S/C16H10FN3O3/c1-23-11-7-6-10(17)13-12(11)14(19-18-13)20-15(21)8-4-2-3-5-9(8)16(20)22/h2-7H,1H3,(H,18,19)
InChIKeyXFCBVBCCLMYSGC-UHFFFAOYSA-N
XLogP2.51
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione (CID 58054480) is 2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione is COc1ccc(F)c2[nH]nc(N3C(=O)c4ccccc4C3=O)c12.
What is the InChIKey of 2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione?
The InChIKey is XFCBVBCCLMYSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O3/c1-23-11-7-6-10(17)13-12(11)14(19-18-13)20-15(21)8-4-2-3-5-9(8)16(20)22/h2-7H,1H3,(H,18,19).
What are the key properties of 2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione?
2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione has a molecular weight of 311.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-methoxy-1H-indazol-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 58054480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).