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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Related Compounds

2-hydroxy-4-(tetrazol-1-yl)benzoic acid
CID 855909
2,4-bis(tetrazol-1-yl)phenol
CID 29060335
[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone
CID 91797211
2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid
CID 16767448
2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 135653875
[3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone
CID 18465036
4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile
CID 70753051
2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid
CID 46986443
N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215
N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42571405
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide
CID 91786758
5-(4-acetyl-5-methyltriazol-1-yl)-2-hydroxybenzoic acid
CID 82201506

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).