3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid

C9H7N3O2 — CID 154069923

IUPAC3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1ccn[nH]1
InChIInChI=1S/C9H7N3O2/c13-9(14)8-6(2-1-4-10-8)7-3-5-11-12-7/h1-5H,(H,11,12)(H,13,14)
InChIKeyYLWBXJYPYVWULM-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.17
Rot. Bonds2

About 3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid

3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid (PubChem CID 154069923) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid
PubChem CID154069923
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1ccn[nH]1
InChIInChI=1S/C9H7N3O2/c13-9(14)8-6(2-1-4-10-8)7-3-5-11-12-7/h1-5H,(H,11,12)(H,13,14)
InChIKeyYLWBXJYPYVWULM-UHFFFAOYSA-N
XLogP1.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid
CID 134462707
3-phenylpyridine-2-carboxylic acid
CID 2762789
3-pyridin-4-ylpyridine-2-carboxylic acid
CID 46316065
3-(4-hydroxyphenyl)pyridine-2-carboxylic acid
CID 53222577
2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid
CID 163206772
2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid
CID 171797986
3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid
CID 53222725
pyridine-2,3-dicarboxylic acid
CID 1066
3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid
CID 67796910
3-(1,3-oxazol-4-yl)pyridine-2-carboxylic acid
CID 67182983
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid (CID 154069923) is 3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid is O=C(O)c1ncccc1-c1ccn[nH]1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid?
The InChIKey is YLWBXJYPYVWULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-9(14)8-6(2-1-4-10-8)7-3-5-11-12-7/h1-5H,(H,11,12)(H,13,14).
What are the key properties of 3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid?
3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 154069923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).