5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde

C19H13FN2O2 — CID 15838405

IUPAC5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2nn(Cc3ccccc3F)c3ccccc23)o1
InChIInChI=1S/C19H13FN2O2/c20-16-7-3-1-5-13(16)11-22-17-8-4-2-6-15(17)19(21-22)18-10-9-14(12-23)24-18/h1-10,12H,11H2
InChIKeyXATBTRGIZVKLLZ-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.30
Rot. Bonds4

About 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde

5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde (PubChem CID 15838405) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde
PubChem CID15838405
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2nn(Cc3ccccc3F)c3ccccc23)o1
InChIInChI=1S/C19H13FN2O2/c20-16-7-3-1-5-13(16)11-22-17-8-4-2-6-15(17)19(21-22)18-10-9-14(12-23)24-18/h1-10,12H,11H2
InChIKeyXATBTRGIZVKLLZ-UHFFFAOYSA-N
XLogP4.30
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde (CID 15838405) is 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde is O=Cc1ccc(-c2nn(Cc3ccccc3F)c3ccccc23)o1.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde?
The InChIKey is XATBTRGIZVKLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2/c20-16-7-3-1-5-13(16)11-22-17-8-4-2-6-15(17)19(21-22)18-10-9-14(12-23)24-18/h1-10,12H,11H2.
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde?
5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde has a molecular weight of 320.32 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]furan-2-carbaldehyde is sourced from PubChem (CID 15838405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).