4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol

C15H14N2O3 — CID 135438183

IUPAC4-(1-ethyl-6-hydroxyindazol-3-yl)benzene-1,3-diol
SMILESCCN1C2=C(C=CC(=C2)O)C(=N1)C3=C(C=C(C=C3)O)O
InChIInChI=1S/C15H14N2O3/c1-2-17-13-7-9(18)3-5-11(13)15(16-17)12-6-4-10(19)8-14(12)20/h3-8,18-20H,2H2,1H3
InChIKeyFPECYZJXGMTZAF-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.50
Rot. Bonds2

About 4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol

4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol (PubChem CID 135438183) has the molecular formula C15H14N2O3 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-(1-ethyl-6-hydroxyindazol-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
PubChem CID135438183
Molecular FormulaC15H14N2O3
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC Name4-(1-ethyl-6-hydroxyindazol-3-yl)benzene-1,3-diol
SMILESCCN1C2=C(C=CC(=C2)O)C(=N1)C3=C(C=C(C=C3)O)O
InChIInChI=1S/C15H14N2O3/c1-2-17-13-7-9(18)3-5-11(13)15(16-17)12-6-4-10(19)8-14(12)20/h3-8,18-20H,2H2,1H3
InChIKeyFPECYZJXGMTZAF-UHFFFAOYSA-N
XLogP2.50
TPSA78.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity341

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol?
The IUPAC name of 4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol (CID 135438183) is 4-(1-ethyl-6-hydroxyindazol-3-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol?
The canonical SMILES for 4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol is CCN1C2=C(C=CC(=C2)O)C(=N1)C3=C(C=C(C=C3)O)O.
What is the InChIKey of 4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol?
The InChIKey is FPECYZJXGMTZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-17-13-7-9(18)3-5-11(13)15(16-17)12-6-4-10(19)8-14(12)20/h3-8,18-20H,2H2,1H3.
What are the key properties of 4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol?
4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol has a molecular weight of 270.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol is sourced from PubChem (CID 135438183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).