2-(3-bromopyrazol-1-yl)-3-chloropyridine

C16H10Br2Cl2N6 — CID 174603551

IUPAC2-(3-bromopyrazol-1-yl)-3-chloropyridine
SMILESClc1cccnc1-n1ccc(Br)n1.Clc1cccnc1-n1ccc(Br)n1
InChIInChI=1S/2C8H5BrClN3/c2*9-7-3-5-13(12-7)8-6(10)2-1-4-11-8/h2*1-5H
InChIKeyHEWAVEKZAISERX-UHFFFAOYSA-N
MW517.01 g/mol
LogP5.37
Rot. Bonds2

About 2-(3-bromopyrazol-1-yl)-3-chloropyridine

2-(3-bromopyrazol-1-yl)-3-chloropyridine (PubChem CID 174603551) has the molecular formula C16H10Br2Cl2N6 and a molecular weight of 517.01 g/mol. Its IUPAC name is 2-(3-bromopyrazol-1-yl)-3-chloropyridine.

Molecular Properties

Compound Name2-(3-bromopyrazol-1-yl)-3-chloropyridine
PubChem CID174603551
Molecular FormulaC16H10Br2Cl2N6
Molecular Weight517.01 g/mol
Exact Mass513.87
IUPAC Name2-(3-bromopyrazol-1-yl)-3-chloropyridine
SMILESClc1cccnc1-n1ccc(Br)n1.Clc1cccnc1-n1ccc(Br)n1
InChIInChI=1S/2C8H5BrClN3/c2*9-7-3-5-13(12-7)8-6(10)2-1-4-11-8/h2*1-5H
InChIKeyHEWAVEKZAISERX-UHFFFAOYSA-N
XLogP5.37
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.01
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-bromopyrazol-1-yl)-3-chloropyridine 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 2-(3-bromopyrazol-1-yl)-3-chloropyridine?
The IUPAC name of 2-(3-bromopyrazol-1-yl)-3-chloropyridine (CID 174603551) is 2-(3-bromopyrazol-1-yl)-3-chloropyridine.
What is the SMILES notation for 2-(3-bromopyrazol-1-yl)-3-chloropyridine?
The canonical SMILES for 2-(3-bromopyrazol-1-yl)-3-chloropyridine is Clc1cccnc1-n1ccc(Br)n1.Clc1cccnc1-n1ccc(Br)n1.
What is the InChIKey of 2-(3-bromopyrazol-1-yl)-3-chloropyridine?
The InChIKey is HEWAVEKZAISERX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H5BrClN3/c2*9-7-3-5-13(12-7)8-6(10)2-1-4-11-8/h2*1-5H.
What are the key properties of 2-(3-bromopyrazol-1-yl)-3-chloropyridine?
2-(3-bromopyrazol-1-yl)-3-chloropyridine has a molecular weight of 517.01 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopyrazol-1-yl)-3-chloropyridine is sourced from PubChem (CID 174603551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).