3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde

C14H8F2N2O2 — CID 58407589

IUPAC3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde
SMILESO=Cc1ccc2[nH]nc(Oc3cc(F)cc(F)c3)c2c1
InChIInChI=1S/C14H8F2N2O2/c15-9-4-10(16)6-11(5-9)20-14-12-3-8(7-19)1-2-13(12)17-18-14/h1-7H,(H,17,18)
InChIKeyXOWKGYYATDASBN-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.45
Rot. Bonds3

About 3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde

3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde (PubChem CID 58407589) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde
PubChem CID58407589
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde
SMILESO=Cc1ccc2[nH]nc(Oc3cc(F)cc(F)c3)c2c1
InChIInChI=1S/C14H8F2N2O2/c15-9-4-10(16)6-11(5-9)20-14-12-3-8(7-19)1-2-13(12)17-18-14/h1-7H,(H,17,18)
InChIKeyXOWKGYYATDASBN-UHFFFAOYSA-N
XLogP3.45
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde?
The IUPAC name of 3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde (CID 58407589) is 3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde.
What is the SMILES notation for 3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde?
The canonical SMILES for 3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde is O=Cc1ccc2[nH]nc(Oc3cc(F)cc(F)c3)c2c1.
What is the InChIKey of 3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde?
The InChIKey is XOWKGYYATDASBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c15-9-4-10(16)6-11(5-9)20-14-12-3-8(7-19)1-2-13(12)17-18-14/h1-7H,(H,17,18).
What are the key properties of 3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde?
3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde has a molecular weight of 274.23 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenoxy)-1H-indazole-5-carbaldehyde is sourced from PubChem (CID 58407589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).