5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid

C7H5N5O2 — CID 63750111

IUPAC5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nn[nH]n2)cn1
InChIInChI=1S/C7H5N5O2/c13-7(14)5-2-1-4(3-8-5)6-9-11-12-10-6/h1-3H,(H,13,14)(H,9,10,11,12)
InChIKeyROHIIUVBCHQIIV-UHFFFAOYSA-N
MW191.15 g/mol
LogP-0.04
Rot. Bonds2

About 5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid

5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid (PubChem CID 63750111) has the molecular formula C7H5N5O2 and a molecular weight of 191.15 g/mol. Its IUPAC name is 5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid
PubChem CID63750111
Molecular FormulaC7H5N5O2
Molecular Weight191.15 g/mol
Exact Mass191.04
IUPAC Name5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nn[nH]n2)cn1
InChIInChI=1S/C7H5N5O2/c13-7(14)5-2-1-4(3-8-5)6-9-11-12-10-6/h1-3H,(H,13,14)(H,9,10,11,12)
InChIKeyROHIIUVBCHQIIV-UHFFFAOYSA-N
XLogP-0.04
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid (CID 63750111) is 5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2nn[nH]n2)cn1.
What is the InChIKey of 5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid?
The InChIKey is ROHIIUVBCHQIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O2/c13-7(14)5-2-1-4(3-8-5)6-9-11-12-10-6/h1-3H,(H,13,14)(H,9,10,11,12).
What are the key properties of 5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid?
5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid has a molecular weight of 191.15 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 63750111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).