4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde

C13H14FN3O — CID 23048186

IUPAC4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(c2[nH]nc3cc(F)ccc23)CC1
InChIInChI=1S/C13H14FN3O/c14-10-1-2-11-12(7-10)15-16-13(11)9-3-5-17(8-18)6-4-9/h1-2,7-9H,3-6H2,(H,15,16)
InChIKeyLLGPYUOIXJDDFG-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.04
Rot. Bonds2

About 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde

4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde (PubChem CID 23048186) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde
PubChem CID23048186
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(c2[nH]nc3cc(F)ccc23)CC1
InChIInChI=1S/C13H14FN3O/c14-10-1-2-11-12(7-10)15-16-13(11)9-3-5-17(8-18)6-4-9/h1-2,7-9H,3-6H2,(H,15,16)
InChIKeyLLGPYUOIXJDDFG-UHFFFAOYSA-N
XLogP2.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde (CID 23048186) is 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde is O=CN1CCC(c2[nH]nc3cc(F)ccc23)CC1.
What is the InChIKey of 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde?
The InChIKey is LLGPYUOIXJDDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-10-1-2-11-12(7-10)15-16-13(11)9-3-5-17(8-18)6-4-9/h1-2,7-9H,3-6H2,(H,15,16).
What are the key properties of 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde?
4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde has a molecular weight of 247.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 23048186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).