6-pyrazol-1-ylpyridine-2-carboxylic acid

C9H7N3O2 — CID 54594501

IUPAC6-pyrazol-1-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-n2cccn2)n1
InChIInChI=1S/C9H7N3O2/c13-9(14)7-3-1-4-8(11-7)12-6-2-5-10-12/h1-6H,(H,13,14)
InChIKeyORABOAXARFWDQN-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.97
Rot. Bonds2

About 6-pyrazol-1-ylpyridine-2-carboxylic acid

6-pyrazol-1-ylpyridine-2-carboxylic acid (PubChem CID 54594501) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 6-pyrazol-1-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-pyrazol-1-ylpyridine-2-carboxylic acid
PubChem CID54594501
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name6-pyrazol-1-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-n2cccn2)n1
InChIInChI=1S/C9H7N3O2/c13-9(14)7-3-1-4-8(11-7)12-6-2-5-10-12/h1-6H,(H,13,14)
InChIKeyORABOAXARFWDQN-UHFFFAOYSA-N
XLogP0.97
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-ylpyridine-2-carboxylic acid?
The IUPAC name of 6-pyrazol-1-ylpyridine-2-carboxylic acid (CID 54594501) is 6-pyrazol-1-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-pyrazol-1-ylpyridine-2-carboxylic acid?
The canonical SMILES for 6-pyrazol-1-ylpyridine-2-carboxylic acid is O=C(O)c1cccc(-n2cccn2)n1.
What is the InChIKey of 6-pyrazol-1-ylpyridine-2-carboxylic acid?
The InChIKey is ORABOAXARFWDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-9(14)7-3-1-4-8(11-7)12-6-2-5-10-12/h1-6H,(H,13,14).
What are the key properties of 6-pyrazol-1-ylpyridine-2-carboxylic acid?
6-pyrazol-1-ylpyridine-2-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 54594501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).