6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol

C13H8ClFN2O — CID 69166333

IUPAC6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol
SMILESOc1cc2c(-c3ccc(F)cc3)n[nH]c2cc1Cl
InChIInChI=1S/C13H8ClFN2O/c14-10-6-11-9(5-12(10)18)13(17-16-11)7-1-3-8(15)4-2-7/h1-6,18H,(H,16,17)
InChIKeyBNWQBMCOUKMZNA-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.73
Rot. Bonds1

About 6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol

6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol (PubChem CID 69166333) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol.

Molecular Properties

Compound Name6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol
PubChem CID69166333
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol
SMILESOc1cc2c(-c3ccc(F)cc3)n[nH]c2cc1Cl
InChIInChI=1S/C13H8ClFN2O/c14-10-6-11-9(5-12(10)18)13(17-16-11)7-1-3-8(15)4-2-7/h1-6,18H,(H,16,17)
InChIKeyBNWQBMCOUKMZNA-UHFFFAOYSA-N
XLogP3.73
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol?
The IUPAC name of 6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol (CID 69166333) is 6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol.
What is the SMILES notation for 6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol?
The canonical SMILES for 6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol is Oc1cc2c(-c3ccc(F)cc3)n[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol?
The InChIKey is BNWQBMCOUKMZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/c14-10-6-11-9(5-12(10)18)13(17-16-11)7-1-3-8(15)4-2-7/h1-6,18H,(H,16,17).
What are the key properties of 6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol?
6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol has a molecular weight of 262.67 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol is sourced from PubChem (CID 69166333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).