2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid

C9H5ClFN3O2 — CID 87518341

IUPAC2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)c(-n2cccn2)nc1Cl
InChIInChI=1S/C9H5ClFN3O2/c10-7-5(9(15)16)4-6(11)8(13-7)14-3-1-2-12-14/h1-4H,(H,15,16)
InChIKeyZHMLLTVKXNRZLL-UHFFFAOYSA-N
MW241.61 g/mol
LogP1.76
Rot. Bonds2

About 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid

2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid (PubChem CID 87518341) has the molecular formula C9H5ClFN3O2 and a molecular weight of 241.61 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid
PubChem CID87518341
Molecular FormulaC9H5ClFN3O2
Molecular Weight241.61 g/mol
Exact Mass241.01
IUPAC Name2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)c(-n2cccn2)nc1Cl
InChIInChI=1S/C9H5ClFN3O2/c10-7-5(9(15)16)4-6(11)8(13-7)14-3-1-2-12-14/h1-4H,(H,15,16)
InChIKeyZHMLLTVKXNRZLL-UHFFFAOYSA-N
XLogP1.76
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.61
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid (CID 87518341) is 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid is O=C(O)c1cc(F)c(-n2cccn2)nc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid?
The InChIKey is ZHMLLTVKXNRZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFN3O2/c10-7-5(9(15)16)4-6(11)8(13-7)14-3-1-2-12-14/h1-4H,(H,15,16).
What are the key properties of 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid?
2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid has a molecular weight of 241.61 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 87518341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).