2-hydroxy-5-(tetrazol-1-yl)benzoic acid

C8H6N4O3 — CID 3136529

IUPAC2-hydroxy-5-(tetrazol-1-yl)benzoic acid
SMILESO=C(O)c1cc(-n2cnnn2)ccc1O
InChIInChI=1S/C8H6N4O3/c13-7-2-1-5(3-6(7)8(14)15)12-4-9-10-11-12/h1-4,13H,(H,14,15)
InChIKeyGMGDTZSHJQPPKB-UHFFFAOYSA-N
MW206.16 g/mol
LogP0.07
Rot. Bonds2

About 2-hydroxy-5-(tetrazol-1-yl)benzoic acid

2-hydroxy-5-(tetrazol-1-yl)benzoic acid (PubChem CID 3136529) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2-hydroxy-5-(tetrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(tetrazol-1-yl)benzoic acid
PubChem CID3136529
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name2-hydroxy-5-(tetrazol-1-yl)benzoic acid
SMILESO=C(O)c1cc(-n2cnnn2)ccc1O
InChIInChI=1S/C8H6N4O3/c13-7-2-1-5(3-6(7)8(14)15)12-4-9-10-11-12/h1-4,13H,(H,14,15)
InChIKeyGMGDTZSHJQPPKB-UHFFFAOYSA-N
XLogP0.07
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(tetrazol-1-yl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(tetrazol-1-yl)benzoic acid (CID 3136529) is 2-hydroxy-5-(tetrazol-1-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(tetrazol-1-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(tetrazol-1-yl)benzoic acid is O=C(O)c1cc(-n2cnnn2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(tetrazol-1-yl)benzoic acid?
The InChIKey is GMGDTZSHJQPPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c13-7-2-1-5(3-6(7)8(14)15)12-4-9-10-11-12/h1-4,13H,(H,14,15).
What are the key properties of 2-hydroxy-5-(tetrazol-1-yl)benzoic acid?
2-hydroxy-5-(tetrazol-1-yl)benzoic acid has a molecular weight of 206.16 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(tetrazol-1-yl)benzoic acid is sourced from PubChem (CID 3136529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).