6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine

C12H8BrFN4 — CID 155389493

IUPAC6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine
SMILESFc1nn(Cc2cccnc2)c2cc(Br)cnc12
InChIInChI=1S/C12H8BrFN4/c13-9-4-10-11(16-6-9)12(14)17-18(10)7-8-2-1-3-15-5-8/h1-6H,7H2
InChIKeyLLKPIGZJIZKJSJ-UHFFFAOYSA-N
MW307.13 g/mol
LogP2.78
Rot. Bonds2

About 6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine

6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine (PubChem CID 155389493) has the molecular formula C12H8BrFN4 and a molecular weight of 307.13 g/mol. Its IUPAC name is 6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine
PubChem CID155389493
Molecular FormulaC12H8BrFN4
Molecular Weight307.13 g/mol
Exact Mass305.99
IUPAC Name6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine
SMILESFc1nn(Cc2cccnc2)c2cc(Br)cnc12
InChIInChI=1S/C12H8BrFN4/c13-9-4-10-11(16-6-9)12(14)17-18(10)7-8-2-1-3-15-5-8/h1-6H,7H2
InChIKeyLLKPIGZJIZKJSJ-UHFFFAOYSA-N
XLogP2.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine (CID 155389493) is 6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine is Fc1nn(Cc2cccnc2)c2cc(Br)cnc12.
What is the InChIKey of 6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine?
The InChIKey is LLKPIGZJIZKJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN4/c13-9-4-10-11(16-6-9)12(14)17-18(10)7-8-2-1-3-15-5-8/h1-6H,7H2.
What are the key properties of 6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine?
6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine has a molecular weight of 307.13 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 155389493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).