5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine

C20H14BrFN4 — CID 56598922

IUPAC5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine
SMILESFc1ccccc1Cn1nc(-c2ccc(Br)cn2)cc1-c1ccccn1
InChIInChI=1S/C20H14BrFN4/c21-15-8-9-17(24-12-15)19-11-20(18-7-3-4-10-23-18)26(25-19)13-14-5-1-2-6-16(14)22/h1-12H,13H2
InChIKeyYFBLFDDZLGVCPZ-UHFFFAOYSA-N
MW409.26 g/mol
LogP4.96
Rot. Bonds4

About 5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine

5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine (PubChem CID 56598922) has the molecular formula C20H14BrFN4 and a molecular weight of 409.26 g/mol. Its IUPAC name is 5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine
PubChem CID56598922
Molecular FormulaC20H14BrFN4
Molecular Weight409.26 g/mol
Exact Mass408.04
IUPAC Name5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine
SMILESFc1ccccc1Cn1nc(-c2ccc(Br)cn2)cc1-c1ccccn1
InChIInChI=1S/C20H14BrFN4/c21-15-8-9-17(24-12-15)19-11-20(18-7-3-4-10-23-18)26(25-19)13-14-5-1-2-6-16(14)22/h1-12H,13H2
InChIKeyYFBLFDDZLGVCPZ-UHFFFAOYSA-N
XLogP4.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine?
The IUPAC name of 5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine (CID 56598922) is 5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine.
What is the SMILES notation for 5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine?
The canonical SMILES for 5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine is Fc1ccccc1Cn1nc(-c2ccc(Br)cn2)cc1-c1ccccn1.
What is the InChIKey of 5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine?
The InChIKey is YFBLFDDZLGVCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFN4/c21-15-8-9-17(24-12-15)19-11-20(18-7-3-4-10-23-18)26(25-19)13-14-5-1-2-6-16(14)22/h1-12H,13H2.
What are the key properties of 5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine?
5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine has a molecular weight of 409.26 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine is sourced from PubChem (CID 56598922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).