2-chloro-5-pyrazol-1-ylpyridine

C8H6ClN3 — CID 71755453

IUPAC2-chloro-5-pyrazol-1-ylpyridine
SMILESClc1ccc(-n2cccn2)cn1
InChIInChI=1S/C8H6ClN3/c9-8-3-2-7(6-10-8)12-5-1-4-11-12/h1-6H
InChIKeyLPZPTQLFQBOFMI-UHFFFAOYSA-N
MW179.61 g/mol
LogP1.92
Rot. Bonds1

About 2-chloro-5-pyrazol-1-ylpyridine

2-chloro-5-pyrazol-1-ylpyridine (PubChem CID 71755453) has the molecular formula C8H6ClN3 and a molecular weight of 179.61 g/mol. Its IUPAC name is 2-chloro-5-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name2-chloro-5-pyrazol-1-ylpyridine
PubChem CID71755453
Molecular FormulaC8H6ClN3
Molecular Weight179.61 g/mol
Exact Mass179.03
IUPAC Name2-chloro-5-pyrazol-1-ylpyridine
SMILESClc1ccc(-n2cccn2)cn1
InChIInChI=1S/C8H6ClN3/c9-8-3-2-7(6-10-8)12-5-1-4-11-12/h1-6H
InChIKeyLPZPTQLFQBOFMI-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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Related Compounds

2-chloro-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]pyridine
CID 3729981
2-chloro-5-(1H-pyrazol-1-ylmethyl)pyridine
CID 1473523
Pyridine, 4-(4-aminopyrazol-1-yl)-
CID 206684
4-Chloro-1-methyl-1H-1,2,3-triazolo[4,5-c]pyridine
CID 319585
3-(1H-1,2,3-triazol-1-yl)pyridine
CID 18794854
3-(1H-pyrazol-1-yl)pyridine
CID 11378567
1-(3-chlorophenyl)-1H-pyrazole
CID 12238133
4-(1H-Pyrazol-1-yl)pyridine
CID 20041704
2-chloro-4-(2H-triazol-4-yl)pyridine
CID 60156092
2-(4-Chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813487
2-(5-Chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813489
N-butyl-N-pyrrol-1-ylpyridin-4-amine
CID 10036231

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-pyrazol-1-ylpyridine?
The IUPAC name of 2-chloro-5-pyrazol-1-ylpyridine (CID 71755453) is 2-chloro-5-pyrazol-1-ylpyridine.
What is the SMILES notation for 2-chloro-5-pyrazol-1-ylpyridine?
The canonical SMILES for 2-chloro-5-pyrazol-1-ylpyridine is Clc1ccc(-n2cccn2)cn1.
What is the InChIKey of 2-chloro-5-pyrazol-1-ylpyridine?
The InChIKey is LPZPTQLFQBOFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3/c9-8-3-2-7(6-10-8)12-5-1-4-11-12/h1-6H.
What are the key properties of 2-chloro-5-pyrazol-1-ylpyridine?
2-chloro-5-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-5-pyrazol-1-ylpyridine is sourced from PubChem (CID 71755453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).