7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid

C10H6N4O3 — CID 169234893

IUPAC7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2c(-c3nn[nH]n3)cccc12
InChIInChI=1S/C10H6N4O3/c15-10(16)7-4-17-8-5(7)2-1-3-6(8)9-11-13-14-12-9/h1-4H,(H,15,16)(H,11,12,13,14)
InChIKeyNKOMLKNRAZLONI-UHFFFAOYSA-N
MW230.18 g/mol
LogP1.31
Rot. Bonds2

About 7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid

7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid (PubChem CID 169234893) has the molecular formula C10H6N4O3 and a molecular weight of 230.18 g/mol. Its IUPAC name is 7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid
PubChem CID169234893
Molecular FormulaC10H6N4O3
Molecular Weight230.18 g/mol
Exact Mass230.04
IUPAC Name7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2c(-c3nn[nH]n3)cccc12
InChIInChI=1S/C10H6N4O3/c15-10(16)7-4-17-8-5(7)2-1-3-6(8)9-11-13-14-12-9/h1-4H,(H,15,16)(H,11,12,13,14)
InChIKeyNKOMLKNRAZLONI-UHFFFAOYSA-N
XLogP1.31
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
7-(aminomethyl)-1-benzofuran-3-carboxylic acid
CID 84771746
3-[2-(hydroxymethyl)phenyl]-5-(2H-tetrazol-5-yl)benzoic acid
CID 68731287
1-(2H-tetrazol-5-yl)xanthen-9-one
CID 154341759
(4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 19791942
3-iodo-4-(2H-tetrazol-5-yl)benzoic acid
CID 44828524
4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 68883605
N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 162647842
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
2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]benzoic acid
CID 15657980
2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide
CID 173223106
3-methyl-1-benzofuran-7-carboxylic acid
CID 15643781

Frequently Asked Questions

What is the IUPAC name of 7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid (CID 169234893) is 7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid is O=C(O)c1coc2c(-c3nn[nH]n3)cccc12.
What is the InChIKey of 7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid?
The InChIKey is NKOMLKNRAZLONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O3/c15-10(16)7-4-17-8-5(7)2-1-3-6(8)9-11-13-14-12-9/h1-4H,(H,15,16)(H,11,12,13,14).
What are the key properties of 7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid?
7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid has a molecular weight of 230.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 169234893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).