2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide

C9H6F3N5O2 — CID 13026884

IUPAC2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C9H6F3N5O2/c10-9(11,12)4-1-2-6(18)5(3-4)7(19)13-8-14-16-17-15-8/h1-3,18H,(H2,13,14,15,16,17,19)
InChIKeyURQHBDJXYGPQSU-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.18
Rot. Bonds2

About 2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide

2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide (PubChem CID 13026884) has the molecular formula C9H6F3N5O2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide
PubChem CID13026884
Molecular FormulaC9H6F3N5O2
Molecular Weight273.17 g/mol
Exact Mass273.05
IUPAC Name2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C9H6F3N5O2/c10-9(11,12)4-1-2-6(18)5(3-4)7(19)13-8-14-16-17-15-8/h1-3,18H,(H2,13,14,15,16,17,19)
InChIKeyURQHBDJXYGPQSU-UHFFFAOYSA-N
XLogP1.18
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 811323
5-fluoro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962771
2-hydroxy-5-phenyl-N-(2H-tetrazol-5-yl)benzamide
CID 12962776
5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962777
5-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962778
5-chloro-2-hydroxy-N-(tetrazol-5-yl)benzamide
CID 12962781
2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide
CID 12962784
3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide
CID 13026871
3-acetyl-5-ethyl-2-hydroxy-N-(tetrazol-5-yl)benzamide
CID 13026885
3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 13026888
3-Acetyl-2-hydroxy-N-(tetrazol-5-yl)benzamide
CID 13026889
3-acetyl-5-fluoro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 13026890

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide (CID 13026884) is 2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide is O=C(Nc1nn[nH]n1)c1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is URQHBDJXYGPQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N5O2/c10-9(11,12)4-1-2-6(18)5(3-4)7(19)13-8-14-16-17-15-8/h1-3,18H,(H2,13,14,15,16,17,19).
What are the key properties of 2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide?
2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 273.17 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 13026884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).