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

C9H7Cl2N3 — CID 61255157

IUPAC5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine
SMILESClCc1ccc(-n2cc(Cl)cn2)nc1
InChIInChI=1S/C9H7Cl2N3/c10-3-7-1-2-9(12-4-7)14-6-8(11)5-13-14/h1-2,4-6H,3H2
InChIKeyZRZPOGFAVXBAIR-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.66
Rot. Bonds2

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

5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine (PubChem CID 61255157) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine
PubChem CID61255157
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine
SMILESClCc1ccc(-n2cc(Cl)cn2)nc1
InChIInChI=1S/C9H7Cl2N3/c10-3-7-1-2-9(12-4-7)14-6-8(11)5-13-14/h1-2,4-6H,3H2
InChIKeyZRZPOGFAVXBAIR-UHFFFAOYSA-N
XLogP2.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine?
The IUPAC name of 5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine (CID 61255157) is 5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine is ClCc1ccc(-n2cc(Cl)cn2)nc1.
What is the InChIKey of 5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine?
The InChIKey is ZRZPOGFAVXBAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c10-3-7-1-2-9(12-4-7)14-6-8(11)5-13-14/h1-2,4-6H,3H2.
What are the key properties of 5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine?
5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine has a molecular weight of 228.08 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine is sourced from PubChem (CID 61255157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).