2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid

C15H11N5O5 — CID 156760686

IUPAC2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1cc(O)cc(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1O
InChIInChI=1S/C15H11N5O5/c21-9-5-10(12(22)11(6-9)15(24)25)14(23)16-8-3-1-7(2-4-8)13-17-19-20-18-13/h1-6,21-22H,(H,16,23)(H,24,25)(H,17,18,19,20)
InChIKeyBRWHCOFPGKDBQC-UHFFFAOYSA-N
MW341.28 g/mol
LogP1.23
Rot. Bonds4

About 2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid

2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid (PubChem CID 156760686) has the molecular formula C15H11N5O5 and a molecular weight of 341.28 g/mol. Its IUPAC name is 2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid
PubChem CID156760686
Molecular FormulaC15H11N5O5
Molecular Weight341.28 g/mol
Exact Mass341.08
IUPAC Name2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1cc(O)cc(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1O
InChIInChI=1S/C15H11N5O5/c21-9-5-10(12(22)11(6-9)15(24)25)14(23)16-8-3-1-7(2-4-8)13-17-19-20-18-13/h1-6,21-22H,(H,16,23)(H,24,25)(H,17,18,19,20)
InChIKeyBRWHCOFPGKDBQC-UHFFFAOYSA-N
XLogP1.23
TPSA161.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 51.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenylphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487596
4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720188
5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 156760724
4-[[3-[(4-carboxy-3-hydroxyphenyl)carbamoyl]-2,5-dihydroxybenzoyl]amino]-2-hydroxybenzoic acid
CID 156760534
N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
CID 3606271
2-(4-hydroxyphenyl)-N-[2-oxo-2-[4-(2H-tetrazol-5-yl)anilino]ethyl]acetamide
CID 166206540
N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110743272
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720193
5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 156760584
2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 75506099
4-[[4-(2H-tetrazol-5-yl)anilino]methyl]benzoic acid
CID 57457060

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid (CID 156760686) is 2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid is O=C(O)c1cc(O)cc(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1O.
What is the InChIKey of 2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid?
The InChIKey is BRWHCOFPGKDBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O5/c21-9-5-10(12(22)11(6-9)15(24)25)14(23)16-8-3-1-7(2-4-8)13-17-19-20-18-13/h1-6,21-22H,(H,16,23)(H,24,25)(H,17,18,19,20).
What are the key properties of 2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid?
2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid has a molecular weight of 341.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 156760686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).