4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol

C15H11F3N2O2 — CID 135465899

IUPAC4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
SMILESCn1nc(-c2ccc(O)cc2O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C15H11F3N2O2/c1-20-14-10(3-2-4-11(14)15(16,17)18)13(19-20)9-6-5-8(21)7-12(9)22/h2-7,21-22H,1H3
InChIKeyGRCDZFUAPCSCFH-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.67
Rot. Bonds1

About 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol

4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol (PubChem CID 135465899) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
PubChem CID135465899
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
SMILESCn1nc(-c2ccc(O)cc2O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C15H11F3N2O2/c1-20-14-10(3-2-4-11(14)15(16,17)18)13(19-20)9-6-5-8(21)7-12(9)22/h2-7,21-22H,1H3
InChIKeyGRCDZFUAPCSCFH-UHFFFAOYSA-N
XLogP3.67
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol (CID 135465899) is 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol is Cn1nc(-c2ccc(O)cc2O)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol?
The InChIKey is GRCDZFUAPCSCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-20-14-10(3-2-4-11(14)15(16,17)18)13(19-20)9-6-5-8(21)7-12(9)22/h2-7,21-22H,1H3.
What are the key properties of 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol?
4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol has a molecular weight of 308.26 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 135465899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).