2-(2H-triazol-4-yl)pyridine-4-carboxylic acid

C8H6N4O2 — CID 91801131

IUPAC2-(2H-triazol-4-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn[nH]n2)c1
InChIInChI=1S/C8H6N4O2/c13-8(14)5-1-2-9-6(3-5)7-4-10-12-11-7/h1-4H,(H,13,14)(H,10,11,12)
InChIKeyXGBRXPYFGYDEMS-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.56
Rot. Bonds2

About 2-(2H-triazol-4-yl)pyridine-4-carboxylic acid

2-(2H-triazol-4-yl)pyridine-4-carboxylic acid (PubChem CID 91801131) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 2-(2H-triazol-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2H-triazol-4-yl)pyridine-4-carboxylic acid
PubChem CID91801131
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name2-(2H-triazol-4-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn[nH]n2)c1
InChIInChI=1S/C8H6N4O2/c13-8(14)5-1-2-9-6(3-5)7-4-10-12-11-7/h1-4H,(H,13,14)(H,10,11,12)
InChIKeyXGBRXPYFGYDEMS-UHFFFAOYSA-N
XLogP0.56
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-triazol-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2H-triazol-4-yl)pyridine-4-carboxylic acid (CID 91801131) is 2-(2H-triazol-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2H-triazol-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2H-triazol-4-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cn[nH]n2)c1.
What is the InChIKey of 2-(2H-triazol-4-yl)pyridine-4-carboxylic acid?
The InChIKey is XGBRXPYFGYDEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c13-8(14)5-1-2-9-6(3-5)7-4-10-12-11-7/h1-4H,(H,13,14)(H,10,11,12).
What are the key properties of 2-(2H-triazol-4-yl)pyridine-4-carboxylic acid?
2-(2H-triazol-4-yl)pyridine-4-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-triazol-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 91801131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).