5-(1H-indazol-3-yl)furan-2-carbaldehyde

C12H8N2O2 — CID 54206842

IUPAC5-(1H-indazol-3-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2n[nH]c3ccccc23)o1
InChIInChI=1S/C12H8N2O2/c15-7-8-5-6-11(16-8)12-9-3-1-2-4-10(9)13-14-12/h1-7H,(H,13,14)
InChIKeyPTBWQJKZRZFUPX-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.64
Rot. Bonds2

About 5-(1H-indazol-3-yl)furan-2-carbaldehyde

5-(1H-indazol-3-yl)furan-2-carbaldehyde (PubChem CID 54206842) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-(1H-indazol-3-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(1H-indazol-3-yl)furan-2-carbaldehyde
PubChem CID54206842
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name5-(1H-indazol-3-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2n[nH]c3ccccc23)o1
InChIInChI=1S/C12H8N2O2/c15-7-8-5-6-11(16-8)12-9-3-1-2-4-10(9)13-14-12/h1-7H,(H,13,14)
InChIKeyPTBWQJKZRZFUPX-UHFFFAOYSA-N
XLogP2.64
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.64
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 5-(1H-indazol-3-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(1H-indazol-3-yl)furan-2-carbaldehyde (CID 54206842) is 5-(1H-indazol-3-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(1H-indazol-3-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(1H-indazol-3-yl)furan-2-carbaldehyde is O=Cc1ccc(-c2n[nH]c3ccccc23)o1.
What is the InChIKey of 5-(1H-indazol-3-yl)furan-2-carbaldehyde?
The InChIKey is PTBWQJKZRZFUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-7-8-5-6-11(16-8)12-9-3-1-2-4-10(9)13-14-12/h1-7H,(H,13,14).
What are the key properties of 5-(1H-indazol-3-yl)furan-2-carbaldehyde?
5-(1H-indazol-3-yl)furan-2-carbaldehyde has a molecular weight of 212.21 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-3-yl)furan-2-carbaldehyde is sourced from PubChem (CID 54206842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).