2-(4-hydroxyphenyl)-3-iodoindazol-5-ol

C13H9IN2O2 — CID 11371596

IUPAC2-(4-hydroxyphenyl)-3-iodoindazol-5-ol
SMILESOc1ccc(-n2nc3ccc(O)cc3c2I)cc1
InChIInChI=1S/C13H9IN2O2/c14-13-11-7-10(18)5-6-12(11)15-16(13)8-1-3-9(17)4-2-8/h1-7,17-18H
InChIKeyPACUCDFVDPAKTO-UHFFFAOYSA-N
MW352.13 g/mol
LogP3.04
Rot. Bonds1

About 2-(4-hydroxyphenyl)-3-iodoindazol-5-ol

2-(4-hydroxyphenyl)-3-iodoindazol-5-ol (PubChem CID 11371596) has the molecular formula C13H9IN2O2 and a molecular weight of 352.13 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3-iodoindazol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3-iodoindazol-5-ol
PubChem CID11371596
Molecular FormulaC13H9IN2O2
Molecular Weight352.13 g/mol
Exact Mass351.97
IUPAC Name2-(4-hydroxyphenyl)-3-iodoindazol-5-ol
SMILESOc1ccc(-n2nc3ccc(O)cc3c2I)cc1
InChIInChI=1S/C13H9IN2O2/c14-13-11-7-10(18)5-6-12(11)15-16(13)8-1-3-9(17)4-2-8/h1-7,17-18H
InChIKeyPACUCDFVDPAKTO-UHFFFAOYSA-N
XLogP3.04
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.13
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-3-iodoindazol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-3-iodoindazol-5-ol (CID 11371596) is 2-(4-hydroxyphenyl)-3-iodoindazol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3-iodoindazol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-3-iodoindazol-5-ol is Oc1ccc(-n2nc3ccc(O)cc3c2I)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-3-iodoindazol-5-ol?
The InChIKey is PACUCDFVDPAKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IN2O2/c14-13-11-7-10(18)5-6-12(11)15-16(13)8-1-3-9(17)4-2-8/h1-7,17-18H.
What are the key properties of 2-(4-hydroxyphenyl)-3-iodoindazol-5-ol?
2-(4-hydroxyphenyl)-3-iodoindazol-5-ol has a molecular weight of 352.13 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3-iodoindazol-5-ol is sourced from PubChem (CID 11371596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).