2-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine

C13H7BrCl2N2 — CID 57444732

IUPAC2-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine
SMILESClc1ccc(-c2cc3cccc(Cl)n3n2)cc1Br
InChIInChI=1S/C13H7BrCl2N2/c14-10-6-8(4-5-11(10)15)12-7-9-2-1-3-13(16)18(9)17-12/h1-7H
InChIKeySYPHWRQINWALNC-UHFFFAOYSA-N
MW342.02 g/mol
LogP5.07
Rot. Bonds1

About 2-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine

2-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine (PubChem CID 57444732) has the molecular formula C13H7BrCl2N2 and a molecular weight of 342.02 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine
PubChem CID57444732
Molecular FormulaC13H7BrCl2N2
Molecular Weight342.02 g/mol
Exact Mass339.92
IUPAC Name2-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine
SMILESClc1ccc(-c2cc3cccc(Cl)n3n2)cc1Br
InChIInChI=1S/C13H7BrCl2N2/c14-10-6-8(4-5-11(10)15)12-7-9-2-1-3-13(16)18(9)17-12/h1-7H
InChIKeySYPHWRQINWALNC-UHFFFAOYSA-N
XLogP5.07
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.02
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine (CID 57444732) is 2-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine is Clc1ccc(-c2cc3cccc(Cl)n3n2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine?
The InChIKey is SYPHWRQINWALNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2/c14-10-6-8(4-5-11(10)15)12-7-9-2-1-3-13(16)18(9)17-12/h1-7H.
What are the key properties of 2-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine?
2-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine has a molecular weight of 342.02 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-7-chloropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 57444732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).