4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol

C14H12N2O3 — CID 135454762

IUPAC4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol
SMILESCn1nc(-c2ccc(O)cc2O)c2ccc(O)cc21
InChIInChI=1S/C14H12N2O3/c1-16-12-6-8(17)2-4-10(12)14(15-16)11-5-3-9(18)7-13(11)19/h2-7,17-19H,1H3
InChIKeyMQBPSWJRXFMOOV-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.36
Rot. Bonds1

About 4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol

4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol (PubChem CID 135454762) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol
PubChem CID135454762
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol
SMILESCn1nc(-c2ccc(O)cc2O)c2ccc(O)cc21
InChIInChI=1S/C14H12N2O3/c1-16-12-6-8(17)2-4-10(12)14(15-16)11-5-3-9(18)7-13(11)19/h2-7,17-19H,1H3
InChIKeyMQBPSWJRXFMOOV-UHFFFAOYSA-N
XLogP2.36
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Way-169916
CID 135461982
4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135566322
Phenol, 4-(7-methyl-1-propyl-1H-indazol-3-yl)-
CID 135511848
4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135438183
4-(1-(3-Fluorophenyl)-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135492495
4-(1-cyclohexyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135499972
4-[1-(3-chlorophenyl)-6-hydroxy-1H-indazol-3-yl]benzene-1,3-diol
CID 135500018
4-(1-(2,5-Dichlorophenyl)-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135508451
4-(6-hydroxy-1-propyl-1H-indazol-3-yl)benzene-1,3-diol
CID 135511863
4-(6-Hydroxy-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl)benzene-1,3-diol
CID 135511929
4-(6-Hydroxy-1-(p-tolyl)-1H-indazol-3-yl)benzene-1,3-diol
CID 135511945
4-(1-butyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135524510

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol?
The IUPAC name of 4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol (CID 135454762) is 4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol?
The canonical SMILES for 4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol is Cn1nc(-c2ccc(O)cc2O)c2ccc(O)cc21.
What is the InChIKey of 4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol?
The InChIKey is MQBPSWJRXFMOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-16-12-6-8(17)2-4-10(12)14(15-16)11-5-3-9(18)7-13(11)19/h2-7,17-19H,1H3.
What are the key properties of 4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol?
4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol has a molecular weight of 256.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol is sourced from PubChem (CID 135454762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).