7-bromo-2-(4-hydroxyphenyl)indazol-6-ol

C13H9BrN2O2 — CID 135458150

IUPAC7-bromo-2-(4-hydroxyphenyl)indazol-6-ol
SMILESOc1ccc(-n2cc3ccc(O)c(Br)c3n2)cc1
InChIInChI=1S/C13H9BrN2O2/c14-12-11(18)6-1-8-7-16(15-13(8)12)9-2-4-10(17)5-3-9/h1-7,17-18H
InChIKeyLKTHGGKMFQUAPK-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.20
Rot. Bonds1

About 7-bromo-2-(4-hydroxyphenyl)indazol-6-ol

7-bromo-2-(4-hydroxyphenyl)indazol-6-ol (PubChem CID 135458150) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 7-bromo-2-(4-hydroxyphenyl)indazol-6-ol.

Molecular Properties

Compound Name7-bromo-2-(4-hydroxyphenyl)indazol-6-ol
PubChem CID135458150
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name7-bromo-2-(4-hydroxyphenyl)indazol-6-ol
SMILESOc1ccc(-n2cc3ccc(O)c(Br)c3n2)cc1
InChIInChI=1S/C13H9BrN2O2/c14-12-11(18)6-1-8-7-16(15-13(8)12)9-2-4-10(17)5-3-9/h1-7,17-18H
InChIKeyLKTHGGKMFQUAPK-UHFFFAOYSA-N
XLogP3.20
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-hydroxyphenyl)indazol-6-ol?
The IUPAC name of 7-bromo-2-(4-hydroxyphenyl)indazol-6-ol (CID 135458150) is 7-bromo-2-(4-hydroxyphenyl)indazol-6-ol.
What is the SMILES notation for 7-bromo-2-(4-hydroxyphenyl)indazol-6-ol?
The canonical SMILES for 7-bromo-2-(4-hydroxyphenyl)indazol-6-ol is Oc1ccc(-n2cc3ccc(O)c(Br)c3n2)cc1.
What is the InChIKey of 7-bromo-2-(4-hydroxyphenyl)indazol-6-ol?
The InChIKey is LKTHGGKMFQUAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c14-12-11(18)6-1-8-7-16(15-13(8)12)9-2-4-10(17)5-3-9/h1-7,17-18H.
What are the key properties of 7-bromo-2-(4-hydroxyphenyl)indazol-6-ol?
7-bromo-2-(4-hydroxyphenyl)indazol-6-ol has a molecular weight of 305.13 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-hydroxyphenyl)indazol-6-ol is sourced from PubChem (CID 135458150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).