2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid

C9H8N6O3 — CID 63615436

IUPAC2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NCc1nn[nH]n1
InChIInChI=1S/C9H8N6O3/c16-8(11-4-6-12-14-15-13-6)7-5(9(17)18)2-1-3-10-7/h1-3H,4H2,(H,11,16)(H,17,18)(H,12,13,14,15)
InChIKeyHAYVTVHNENWYDW-UHFFFAOYSA-N
MW248.20 g/mol
LogP-0.78
Rot. Bonds4

About 2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid

2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 63615436) has the molecular formula C9H8N6O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID63615436
Molecular FormulaC9H8N6O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NCc1nn[nH]n1
InChIInChI=1S/C9H8N6O3/c16-8(11-4-6-12-14-15-13-6)7-5(9(17)18)2-1-3-10-7/h1-3H,4H2,(H,11,16)(H,17,18)(H,12,13,14,15)
InChIKeyHAYVTVHNENWYDW-UHFFFAOYSA-N
XLogP-0.78
TPSA133.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid (CID 63615436) is 2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)NCc1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is HAYVTVHNENWYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O3/c16-8(11-4-6-12-14-15-13-6)7-5(9(17)18)2-1-3-10-7/h1-3H,4H2,(H,11,16)(H,17,18)(H,12,13,14,15).
What are the key properties of 2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 248.20 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63615436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).