6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid

C12H8N6O2 — CID 58260764

IUPAC6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cccc(-c3nn[nH]n3)n2)n1
InChIInChI=1S/C12H8N6O2/c19-12(20)10-6-2-4-8(14-10)7-3-1-5-9(13-7)11-15-17-18-16-11/h1-6H,(H,19,20)(H,15,16,17,18)
InChIKeyIRZVZLPGZILBTA-UHFFFAOYSA-N
MW268.24 g/mol
LogP1.02
Rot. Bonds3

About 6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid

6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 58260764) has the molecular formula C12H8N6O2 and a molecular weight of 268.24 g/mol. Its IUPAC name is 6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid
PubChem CID58260764
Molecular FormulaC12H8N6O2
Molecular Weight268.24 g/mol
Exact Mass268.07
IUPAC Name6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cccc(-c3nn[nH]n3)n2)n1
InChIInChI=1S/C12H8N6O2/c19-12(20)10-6-2-4-8(14-10)7-3-1-5-9(13-7)11-15-17-18-16-11/h1-6H,(H,19,20)(H,15,16,17,18)
InChIKeyIRZVZLPGZILBTA-UHFFFAOYSA-N
XLogP1.02
TPSA117.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid (CID 58260764) is 6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cccc(-c3nn[nH]n3)n2)n1.
What is the InChIKey of 6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is IRZVZLPGZILBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O2/c19-12(20)10-6-2-4-8(14-10)7-3-1-5-9(13-7)11-15-17-18-16-11/h1-6H,(H,19,20)(H,15,16,17,18).
What are the key properties of 6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid?
6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 268.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 58260764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).