2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine

C11H5BrClFN4 — CID 90022008

IUPAC2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine
SMILESFc1nc(-n2cc3cnc(Cl)cc3n2)ccc1Br
InChIInChI=1S/C11H5BrClFN4/c12-7-1-2-10(16-11(7)14)18-5-6-4-15-9(13)3-8(6)17-18/h1-5H
InChIKeyIKHBSABBTLYPSJ-UHFFFAOYSA-N
MW327.54 g/mol
LogP3.37
Rot. Bonds1

About 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine

2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine (PubChem CID 90022008) has the molecular formula C11H5BrClFN4 and a molecular weight of 327.54 g/mol. Its IUPAC name is 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine
PubChem CID90022008
Molecular FormulaC11H5BrClFN4
Molecular Weight327.54 g/mol
Exact Mass325.94
IUPAC Name2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine
SMILESFc1nc(-n2cc3cnc(Cl)cc3n2)ccc1Br
InChIInChI=1S/C11H5BrClFN4/c12-7-1-2-10(16-11(7)14)18-5-6-4-15-9(13)3-8(6)17-18/h1-5H
InChIKeyIKHBSABBTLYPSJ-UHFFFAOYSA-N
XLogP3.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine?
The IUPAC name of 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine (CID 90022008) is 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine is Fc1nc(-n2cc3cnc(Cl)cc3n2)ccc1Br.
What is the InChIKey of 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine?
The InChIKey is IKHBSABBTLYPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClFN4/c12-7-1-2-10(16-11(7)14)18-5-6-4-15-9(13)3-8(6)17-18/h1-5H.
What are the key properties of 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine?
2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine has a molecular weight of 327.54 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 90022008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).