2-chloro-5-methyl-4-pyrazol-1-ylpyridine

C9H8ClN3 — CID 83268590

IUPAC2-chloro-5-methyl-4-pyrazol-1-ylpyridine
SMILESCc1cnc(Cl)cc1-n1cccn1
InChIInChI=1S/C9H8ClN3/c1-7-6-11-9(10)5-8(7)13-4-2-3-12-13/h2-6H,1H3
InChIKeyLGNGYWPUASJGQH-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.23
Rot. Bonds1

About 2-chloro-5-methyl-4-pyrazol-1-ylpyridine

2-chloro-5-methyl-4-pyrazol-1-ylpyridine (PubChem CID 83268590) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-pyrazol-1-ylpyridine
PubChem CID83268590
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name2-chloro-5-methyl-4-pyrazol-1-ylpyridine
SMILESCc1cnc(Cl)cc1-n1cccn1
InChIInChI=1S/C9H8ClN3/c1-7-6-11-9(10)5-8(7)13-4-2-3-12-13/h2-6H,1H3
InChIKeyLGNGYWPUASJGQH-UHFFFAOYSA-N
XLogP2.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.23
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-5-methyl-4-pyrazol-1-ylpyridine?
The IUPAC name of 2-chloro-5-methyl-4-pyrazol-1-ylpyridine (CID 83268590) is 2-chloro-5-methyl-4-pyrazol-1-ylpyridine.
What is the SMILES notation for 2-chloro-5-methyl-4-pyrazol-1-ylpyridine?
The canonical SMILES for 2-chloro-5-methyl-4-pyrazol-1-ylpyridine is Cc1cnc(Cl)cc1-n1cccn1.
What is the InChIKey of 2-chloro-5-methyl-4-pyrazol-1-ylpyridine?
The InChIKey is LGNGYWPUASJGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c1-7-6-11-9(10)5-8(7)13-4-2-3-12-13/h2-6H,1H3.
What are the key properties of 2-chloro-5-methyl-4-pyrazol-1-ylpyridine?
2-chloro-5-methyl-4-pyrazol-1-ylpyridine has a molecular weight of 193.64 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-pyrazol-1-ylpyridine is sourced from PubChem (CID 83268590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).