3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine

C26H15BrCl2F2N4 — CID 70204522

IUPAC3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine
SMILESFc1ccc(-c2cc3ccc(Cl)cn3n2)cc1.Fc1ccc(-c2nn3cc(Cl)ccc3c2Br)cc1
InChIInChI=1S/C13H7BrClFN2.C13H8ClFN2/c14-12-11-6-3-9(15)7-18(11)17-13(12)8-1-4-10(16)5-2-8;14-10-3-6-12-7-13(16-17(12)8-10)9-1-4-11(15)5-2-9/h1-7H;1-8H
InChIKeyMZVCJPCYTZBHSW-UHFFFAOYSA-N
MW572.24 g/mol
LogP8.35
Rot. Bonds2

About 3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine

3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine (PubChem CID 70204522) has the molecular formula C26H15BrCl2F2N4 and a molecular weight of 572.24 g/mol. Its IUPAC name is 3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine
PubChem CID70204522
Molecular FormulaC26H15BrCl2F2N4
Molecular Weight572.24 g/mol
Exact Mass569.98
IUPAC Name3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine
SMILESFc1ccc(-c2cc3ccc(Cl)cn3n2)cc1.Fc1ccc(-c2nn3cc(Cl)ccc3c2Br)cc1
InChIInChI=1S/C13H7BrClFN2.C13H8ClFN2/c14-12-11-6-3-9(15)7-18(11)17-13(12)8-1-4-10(16)5-2-8;14-10-3-6-12-7-13(16-17(12)8-10)9-1-4-11(15)5-2-9/h1-7H;1-8H
InChIKeyMZVCJPCYTZBHSW-UHFFFAOYSA-N
XLogP8.35
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.24
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine (CID 70204522) is 3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine is Fc1ccc(-c2cc3ccc(Cl)cn3n2)cc1.Fc1ccc(-c2nn3cc(Cl)ccc3c2Br)cc1.
What is the InChIKey of 3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine?
The InChIKey is MZVCJPCYTZBHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2.C13H8ClFN2/c14-12-11-6-3-9(15)7-18(11)17-13(12)8-1-4-10(16)5-2-8;14-10-3-6-12-7-13(16-17(12)8-10)9-1-4-11(15)5-2-9/h1-7H;1-8H.
What are the key properties of 3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine?
3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine has a molecular weight of 572.24 g/mol, XLogP of 8.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 70204522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).