(5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone

C13H8ClN3O2 — CID 10967695

IUPAC(5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)n1nnc2cc(Cl)ccc21
InChIInChI=1S/C13H8ClN3O2/c14-8-5-6-11-10(7-8)15-16-17(11)13(19)9-3-1-2-4-12(9)18/h1-7,18H
InChIKeyWEWBCIFQFRXSLP-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.48
Rot. Bonds1

About (5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone

(5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone (PubChem CID 10967695) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is (5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
PubChem CID10967695
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name(5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)n1nnc2cc(Cl)ccc21
InChIInChI=1S/C13H8ClN3O2/c14-8-5-6-11-10(7-8)15-16-17(11)13(19)9-3-1-2-4-12(9)18/h1-7,18H
InChIKeyWEWBCIFQFRXSLP-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzotriazol-1-yl-(4-hydroxyphenyl)methanone
CID 3708210
(2-Hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone
CID 10243969
1-(2-methoxybenzoyl)-1H-1,2,3-benzotriazole
CID 898930
2-(1H-1,2,3-Benzotriazole-1-carbonyl)phenol
CID 11042812
(5-Fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
CID 11065065
(2-Hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone
CID 11109578
(2-Hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone
CID 11782023
2-(Benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
CID 155520978
(E)-3-[4-(benzotriazol-1-yl)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 139217770
3-Chloro-2-((3,5-dimethyl-4-(phenyldiazenyl)-1H-pyrazol-1-yl)carbonyl)phenol
CID 362546
2-(1h-Benzotriazol-1-yl-carbonyl)-4-bromophenol
CID 11515229
2-(1H-1,2,3-Benzotriazole-1-carbonyl)-6-methylphenol
CID 11572395

Frequently Asked Questions

What is the IUPAC name of (5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone (CID 10967695) is (5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone is O=C(c1ccccc1O)n1nnc2cc(Cl)ccc21.
What is the InChIKey of (5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is WEWBCIFQFRXSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-8-5-6-11-10(7-8)15-16-17(11)13(19)9-3-1-2-4-12(9)18/h1-7,18H.
What are the key properties of (5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone?
(5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 273.68 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 10967695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).