2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol

C12H8ClN3O3 — CID 18428764

IUPAC2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol
SMILESOc1cc(O)c(-n2nc3ccc(Cl)cc3n2)c(O)c1
InChIInChI=1S/C12H8ClN3O3/c13-6-1-2-8-9(3-6)15-16(14-8)12-10(18)4-7(17)5-11(12)19/h1-5,17-19H
InChIKeyUIQCUXULZJLJKP-UHFFFAOYSA-N
MW277.67 g/mol
LogP2.19
Rot. Bonds1

About 2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol

2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol (PubChem CID 18428764) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is 2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol.

Molecular Properties

Compound Name2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol
PubChem CID18428764
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC Name2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol
SMILESOc1cc(O)c(-n2nc3ccc(Cl)cc3n2)c(O)c1
InChIInChI=1S/C12H8ClN3O3/c13-6-1-2-8-9(3-6)15-16(14-8)12-10(18)4-7(17)5-11(12)19/h1-5,17-19H
InChIKeyUIQCUXULZJLJKP-UHFFFAOYSA-N
XLogP2.19
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol?
The IUPAC name of 2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol (CID 18428764) is 2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol.
What is the SMILES notation for 2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol?
The canonical SMILES for 2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol is Oc1cc(O)c(-n2nc3ccc(Cl)cc3n2)c(O)c1.
What is the InChIKey of 2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol?
The InChIKey is UIQCUXULZJLJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c13-6-1-2-8-9(3-6)15-16(14-8)12-10(18)4-7(17)5-11(12)19/h1-5,17-19H.
What are the key properties of 2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol?
2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol has a molecular weight of 277.67 g/mol, XLogP of 2.19, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorobenzotriazol-2-yl)benzene-1,3,5-triol is sourced from PubChem (CID 18428764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).