2-chloro-5-(4-chloropyrazol-1-yl)pyridine

C8H5Cl2N3 — CID 101466830

IUPAC2-chloro-5-(4-chloropyrazol-1-yl)pyridine
SMILESClc1cnn(-c2ccc(Cl)nc2)c1
InChIInChI=1S/C8H5Cl2N3/c9-6-3-12-13(5-6)7-1-2-8(10)11-4-7/h1-5H
InChIKeyRUADVQIVCNBAHL-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.57
Rot. Bonds1

About 2-chloro-5-(4-chloropyrazol-1-yl)pyridine

2-chloro-5-(4-chloropyrazol-1-yl)pyridine (PubChem CID 101466830) has the molecular formula C8H5Cl2N3 and a molecular weight of 214.06 g/mol. Its IUPAC name is 2-chloro-5-(4-chloropyrazol-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(4-chloropyrazol-1-yl)pyridine
PubChem CID101466830
Molecular FormulaC8H5Cl2N3
Molecular Weight214.06 g/mol
Exact Mass212.99
IUPAC Name2-chloro-5-(4-chloropyrazol-1-yl)pyridine
SMILESClc1cnn(-c2ccc(Cl)nc2)c1
InChIInChI=1S/C8H5Cl2N3/c9-6-3-12-13(5-6)7-1-2-8(10)11-4-7/h1-5H
InChIKeyRUADVQIVCNBAHL-UHFFFAOYSA-N
XLogP2.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.57
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-(4-chloropyrazol-1-yl)pyridine?
The IUPAC name of 2-chloro-5-(4-chloropyrazol-1-yl)pyridine (CID 101466830) is 2-chloro-5-(4-chloropyrazol-1-yl)pyridine.
What is the SMILES notation for 2-chloro-5-(4-chloropyrazol-1-yl)pyridine?
The canonical SMILES for 2-chloro-5-(4-chloropyrazol-1-yl)pyridine is Clc1cnn(-c2ccc(Cl)nc2)c1.
What is the InChIKey of 2-chloro-5-(4-chloropyrazol-1-yl)pyridine?
The InChIKey is RUADVQIVCNBAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3/c9-6-3-12-13(5-6)7-1-2-8(10)11-4-7/h1-5H.
What are the key properties of 2-chloro-5-(4-chloropyrazol-1-yl)pyridine?
2-chloro-5-(4-chloropyrazol-1-yl)pyridine has a molecular weight of 214.06 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chloropyrazol-1-yl)pyridine is sourced from PubChem (CID 101466830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).