3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde

C10H7FN2O2 — CID 171067208

IUPAC3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde
SMILESO=Cc1cc(F)cc(Oc2cn[nH]c2)c1
InChIInChI=1S/C10H7FN2O2/c11-8-1-7(6-14)2-9(3-8)15-10-4-12-13-5-10/h1-6H,(H,12,13)
InChIKeyIAGVISOEUUGZRS-UHFFFAOYSA-N
MW206.18 g/mol
LogP2.15
Rot. Bonds3

About 3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde

3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde (PubChem CID 171067208) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde
PubChem CID171067208
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde
SMILESO=Cc1cc(F)cc(Oc2cn[nH]c2)c1
InChIInChI=1S/C10H7FN2O2/c11-8-1-7(6-14)2-9(3-8)15-10-4-12-13-5-10/h1-6H,(H,12,13)
InChIKeyIAGVISOEUUGZRS-UHFFFAOYSA-N
XLogP2.15
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 52.15
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-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde?
The IUPAC name of 3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde (CID 171067208) is 3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde.
What is the SMILES notation for 3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde?
The canonical SMILES for 3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde is O=Cc1cc(F)cc(Oc2cn[nH]c2)c1.
What is the InChIKey of 3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde?
The InChIKey is IAGVISOEUUGZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-8-1-7(6-14)2-9(3-8)15-10-4-12-13-5-10/h1-6H,(H,12,13).
What are the key properties of 3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde?
3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde has a molecular weight of 206.18 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde is sourced from PubChem (CID 171067208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).