2-(2H-tetrazol-5-yl)benzoic acid

C8H6N4O2 — CID 555192

IUPAC2-(2H-tetrazol-5-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C8H6N4O2/c13-8(14)6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
InChIKeyQRKJBXMXOAQYEC-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.56
Rot. Bonds2

About 2-(2H-tetrazol-5-yl)benzoic acid

2-(2H-tetrazol-5-yl)benzoic acid (PubChem CID 555192) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)benzoic acid
PubChem CID555192
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name2-(2H-tetrazol-5-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C8H6N4O2/c13-8(14)6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
InChIKeyQRKJBXMXOAQYEC-UHFFFAOYSA-N
XLogP0.56
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 19791942
7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid
CID 169234893
(4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 72863235
(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 154569622
2-(5-bromo-1H-1,2,4-triazol-3-yl)benzoic acid
CID 56604542
2-[4-(2H-triazol-4-yl)phenyl]benzoic acid
CID 174755890
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 162647842
2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]benzoic acid
CID 15657980
2-[4-(bromomethyl)phenyl]benzoic acid;2-[4-(bromomethyl)phenyl]benzonitrile;5-[2-[4-(bromomethyl)phenyl]phenyl]-2H-tetrazole;methyl 2-[4-(bromomethyl)phenyl]benzoate
CID 160863630
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one
CID 56716843

Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)benzoic acid?
The IUPAC name of 2-(2H-tetrazol-5-yl)benzoic acid (CID 555192) is 2-(2H-tetrazol-5-yl)benzoic acid.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)benzoic acid?
The canonical SMILES for 2-(2H-tetrazol-5-yl)benzoic acid is O=C(O)c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)benzoic acid?
The InChIKey is QRKJBXMXOAQYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c13-8(14)6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12).
What are the key properties of 2-(2H-tetrazol-5-yl)benzoic acid?
2-(2H-tetrazol-5-yl)benzoic acid has a molecular weight of 190.16 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)benzoic acid is sourced from PubChem (CID 555192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).