2-chloro-4-pyrazol-1-ylpyridine

C8H6ClN3 — CID 63778646

IUPAC2-chloro-4-pyrazol-1-ylpyridine
SMILESClc1cc(-n2cccn2)ccn1
InChIInChI=1S/C8H6ClN3/c9-8-6-7(2-4-10-8)12-5-1-3-11-12/h1-6H
InChIKeySAJGWODCFJIFKE-UHFFFAOYSA-N
MW179.61 g/mol
LogP1.92
Rot. Bonds1

About 2-chloro-4-pyrazol-1-ylpyridine

2-chloro-4-pyrazol-1-ylpyridine (PubChem CID 63778646) has the molecular formula C8H6ClN3 and a molecular weight of 179.61 g/mol. Its IUPAC name is 2-chloro-4-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name2-chloro-4-pyrazol-1-ylpyridine
PubChem CID63778646
Molecular FormulaC8H6ClN3
Molecular Weight179.61 g/mol
Exact Mass179.03
IUPAC Name2-chloro-4-pyrazol-1-ylpyridine
SMILESClc1cc(-n2cccn2)ccn1
InChIInChI=1S/C8H6ClN3/c9-8-6-7(2-4-10-8)12-5-1-3-11-12/h1-6H
InChIKeySAJGWODCFJIFKE-UHFFFAOYSA-N
XLogP1.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-4-pyrazol-1-ylpyridine?
The IUPAC name of 2-chloro-4-pyrazol-1-ylpyridine (CID 63778646) is 2-chloro-4-pyrazol-1-ylpyridine.
What is the SMILES notation for 2-chloro-4-pyrazol-1-ylpyridine?
The canonical SMILES for 2-chloro-4-pyrazol-1-ylpyridine is Clc1cc(-n2cccn2)ccn1.
What is the InChIKey of 2-chloro-4-pyrazol-1-ylpyridine?
The InChIKey is SAJGWODCFJIFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3/c9-8-6-7(2-4-10-8)12-5-1-3-11-12/h1-6H.
What are the key properties of 2-chloro-4-pyrazol-1-ylpyridine?
2-chloro-4-pyrazol-1-ylpyridine has a molecular weight of 179.61 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pyrazol-1-ylpyridine is sourced from PubChem (CID 63778646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).