5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid

C11H7N5O2S — CID 68713025

IUPAC5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2nn[nH]n2)c(-c2ccccn2)s1
InChIInChI=1S/C11H7N5O2S/c17-11(18)8-5-6(10-13-15-16-14-10)9(19-8)7-3-1-2-4-12-7/h1-5H,(H,17,18)(H,13,14,15,16)
InChIKeyYWKQWKWSLYDBGR-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.69
Rot. Bonds3

About 5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid

5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid (PubChem CID 68713025) has the molecular formula C11H7N5O2S and a molecular weight of 273.28 g/mol. Its IUPAC name is 5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
PubChem CID68713025
Molecular FormulaC11H7N5O2S
Molecular Weight273.28 g/mol
Exact Mass273.03
IUPAC Name5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2nn[nH]n2)c(-c2ccccn2)s1
InChIInChI=1S/C11H7N5O2S/c17-11(18)8-5-6(10-13-15-16-14-10)9(19-8)7-3-1-2-4-12-7/h1-5H,(H,17,18)(H,13,14,15,16)
InChIKeyYWKQWKWSLYDBGR-UHFFFAOYSA-N
XLogP1.69
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
CID 11846376
2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide
CID 11846369
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid
CID 53427079
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate
CID 169144350
2-amino-5-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271783
5-pyridin-2-ylthiophene-3-carboxylic acid
CID 79684127
(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone
CID 1485941

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid (CID 68713025) is 5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid is O=C(O)c1cc(-c2nn[nH]n2)c(-c2ccccn2)s1.
What is the InChIKey of 5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
The InChIKey is YWKQWKWSLYDBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O2S/c17-11(18)8-5-6(10-13-15-16-14-10)9(19-8)7-3-1-2-4-12-7/h1-5H,(H,17,18)(H,13,14,15,16).
What are the key properties of 5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid has a molecular weight of 273.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 68713025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).