2-amino-4-(2H-tetrazol-5-yl)benzoic acid

C8H7N5O2 — CID 4769991

IUPAC2-amino-4-(2H-tetrazol-5-yl)benzoic acid
SMILESNc1cc(-c2nn[nH]n2)ccc1C(=O)O
InChIInChI=1S/C8H7N5O2/c9-6-3-4(7-10-12-13-11-7)1-2-5(6)8(14)15/h1-3H,9H2,(H,14,15)(H,10,11,12,13)
InChIKeyBVKCZFZLDIFHRB-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.15
Rot. Bonds2

About 2-amino-4-(2H-tetrazol-5-yl)benzoic acid

2-amino-4-(2H-tetrazol-5-yl)benzoic acid (PubChem CID 4769991) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-amino-4-(2H-tetrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name2-amino-4-(2H-tetrazol-5-yl)benzoic acid
PubChem CID4769991
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name2-amino-4-(2H-tetrazol-5-yl)benzoic acid
SMILESNc1cc(-c2nn[nH]n2)ccc1C(=O)O
InChIInChI=1S/C8H7N5O2/c9-6-3-4(7-10-12-13-11-7)1-2-5(6)8(14)15/h1-3H,9H2,(H,14,15)(H,10,11,12,13)
InChIKeyBVKCZFZLDIFHRB-UHFFFAOYSA-N
XLogP0.15
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2H-tetrazol-5-yl)benzoic acid?
The IUPAC name of 2-amino-4-(2H-tetrazol-5-yl)benzoic acid (CID 4769991) is 2-amino-4-(2H-tetrazol-5-yl)benzoic acid.
What is the SMILES notation for 2-amino-4-(2H-tetrazol-5-yl)benzoic acid?
The canonical SMILES for 2-amino-4-(2H-tetrazol-5-yl)benzoic acid is Nc1cc(-c2nn[nH]n2)ccc1C(=O)O.
What is the InChIKey of 2-amino-4-(2H-tetrazol-5-yl)benzoic acid?
The InChIKey is BVKCZFZLDIFHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c9-6-3-4(7-10-12-13-11-7)1-2-5(6)8(14)15/h1-3H,9H2,(H,14,15)(H,10,11,12,13).
What are the key properties of 2-amino-4-(2H-tetrazol-5-yl)benzoic acid?
2-amino-4-(2H-tetrazol-5-yl)benzoic acid has a molecular weight of 205.18 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2H-tetrazol-5-yl)benzoic acid is sourced from PubChem (CID 4769991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).