3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol

C12H8FN3O — CID 136641023

IUPAC3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol
SMILESOc1ccc2[nH]nc(-c3ccnc(F)c3)c2c1
InChIInChI=1S/C12H8FN3O/c13-11-5-7(3-4-14-11)12-9-6-8(17)1-2-10(9)15-16-12/h1-6,17H,(H,15,16)
InChIKeyNSBJMMWMSHQZEC-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.47
Rot. Bonds1

About 3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol

3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol (PubChem CID 136641023) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol.

Molecular Properties

Compound Name3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol
PubChem CID136641023
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol
SMILESOc1ccc2[nH]nc(-c3ccnc(F)c3)c2c1
InChIInChI=1S/C12H8FN3O/c13-11-5-7(3-4-14-11)12-9-6-8(17)1-2-10(9)15-16-12/h1-6,17H,(H,15,16)
InChIKeyNSBJMMWMSHQZEC-UHFFFAOYSA-N
XLogP2.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol?
The IUPAC name of 3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol (CID 136641023) is 3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol.
What is the SMILES notation for 3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol?
The canonical SMILES for 3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol is Oc1ccc2[nH]nc(-c3ccnc(F)c3)c2c1.
What is the InChIKey of 3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol?
The InChIKey is NSBJMMWMSHQZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-11-5-7(3-4-14-11)12-9-6-8(17)1-2-10(9)15-16-12/h1-6,17H,(H,15,16).
What are the key properties of 3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol?
3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol has a molecular weight of 229.21 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-pyridinyl)-1H-indazol-5-ol is sourced from PubChem (CID 136641023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).