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

C8H6BrN5O2 — CID 12962777

IUPAC5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cc(Br)ccc1O
InChIInChI=1S/C8H6BrN5O2/c9-4-1-2-6(15)5(3-4)7(16)10-8-11-13-14-12-8/h1-3,15H,(H2,10,11,12,13,14,16)
InChIKeyPIOLOMVKJMUYGL-UHFFFAOYSA-N
MW284.07 g/mol
LogP0.92
Rot. Bonds2

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

5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 12962777) has the molecular formula C8H6BrN5O2 and a molecular weight of 284.07 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID12962777
Molecular FormulaC8H6BrN5O2
Molecular Weight284.07 g/mol
Exact Mass282.97
IUPAC Name5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cc(Br)ccc1O
InChIInChI=1S/C8H6BrN5O2/c9-4-1-2-6(15)5(3-4)7(16)10-8-11-13-14-12-8/h1-3,15H,(H2,10,11,12,13,14,16)
InChIKeyPIOLOMVKJMUYGL-UHFFFAOYSA-N
XLogP0.92
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-methoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 894139
5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide
CID 824050
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-methyl-N-(2H-tetrazol-5-yl)benzamide
CID 12962784
5-trifluoromethyl-2-hydroxy-N-(tetrazol-5-yl)benzamide
CID 13026884
3-Acetyl-2-hydroxy-N-(tetrazol-5-yl)benzamide
CID 13026889
5-cyano-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 13026898
3-acetyl-5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 13596086
2,5-dihydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 135703077
5-bromo-2-hydroxy-N-(4H-1,2,4-triazol-3-yl)benzamide
CID 5077130
5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481043

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide (CID 12962777) is 5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nn[nH]n1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is PIOLOMVKJMUYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN5O2/c9-4-1-2-6(15)5(3-4)7(16)10-8-11-13-14-12-8/h1-3,15H,(H2,10,11,12,13,14,16).
What are the key properties of 5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 284.07 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 12962777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).