2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine

C8H7BrFN3 — CID 163211611

IUPAC2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine
SMILESFC1(Br)C=CC(c2cn[nH]c2)=CN1
InChIInChI=1S/C8H7BrFN3/c9-8(10)2-1-6(3-11-8)7-4-12-13-5-7/h1-5,11H,(H,12,13)
InChIKeyYONJGFUYCHEJKL-UHFFFAOYSA-N
MW244.07 g/mol
LogP1.93
Rot. Bonds1

About 2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine

2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine (PubChem CID 163211611) has the molecular formula C8H7BrFN3 and a molecular weight of 244.07 g/mol. Its IUPAC name is 2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine.

Molecular Properties

Compound Name2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine
PubChem CID163211611
Molecular FormulaC8H7BrFN3
Molecular Weight244.07 g/mol
Exact Mass242.98
IUPAC Name2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine
SMILESFC1(Br)C=CC(c2cn[nH]c2)=CN1
InChIInChI=1S/C8H7BrFN3/c9-8(10)2-1-6(3-11-8)7-4-12-13-5-7/h1-5,11H,(H,12,13)
InChIKeyYONJGFUYCHEJKL-UHFFFAOYSA-N
XLogP1.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine?
The IUPAC name of 2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine (CID 163211611) is 2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine.
What is the SMILES notation for 2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine?
The canonical SMILES for 2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine is FC1(Br)C=CC(c2cn[nH]c2)=CN1.
What is the InChIKey of 2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine?
The InChIKey is YONJGFUYCHEJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFN3/c9-8(10)2-1-6(3-11-8)7-4-12-13-5-7/h1-5,11H,(H,12,13).
What are the key properties of 2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine?
2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine has a molecular weight of 244.07 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine is sourced from PubChem (CID 163211611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).