5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

C10H6BrF3N4O2 — CID 134023054

IUPAC5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(Br)ccc1O
InChIInChI=1S/C10H6BrF3N4O2/c11-4-1-2-6(19)5(3-4)7(20)15-9-16-8(17-18-9)10(12,13)14/h1-3,19H,(H2,15,16,17,18,20)
InChIKeyJMQMZUNRWIPVTE-UHFFFAOYSA-N
MW351.08 g/mol
LogP2.54
Rot. Bonds2

About 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 134023054) has the molecular formula C10H6BrF3N4O2 and a molecular weight of 351.08 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID134023054
Molecular FormulaC10H6BrF3N4O2
Molecular Weight351.08 g/mol
Exact Mass349.96
IUPAC Name5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(Br)ccc1O
InChIInChI=1S/C10H6BrF3N4O2/c11-4-1-2-6(19)5(3-4)7(20)15-9-16-8(17-18-9)10(12,13)14/h1-3,19H,(H2,15,16,17,18,20)
InChIKeyJMQMZUNRWIPVTE-UHFFFAOYSA-N
XLogP2.54
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 134023054) is 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is JMQMZUNRWIPVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N4O2/c11-4-1-2-6(19)5(3-4)7(20)15-9-16-8(17-18-9)10(12,13)14/h1-3,19H,(H2,15,16,17,18,20).
What are the key properties of 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 351.08 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 134023054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).