4-(4-bromopyrazol-1-yl)-3-fluoropyridine

C8H5BrFN3 — CID 118450422

IUPAC4-(4-bromopyrazol-1-yl)-3-fluoropyridine
SMILESFc1cnccc1-n1cc(Br)cn1
InChIInChI=1S/C8H5BrFN3/c9-6-3-12-13(5-6)8-1-2-11-4-7(8)10/h1-5H
InChIKeyWKCDRBPMYKUWMN-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.17
Rot. Bonds1

About 4-(4-bromopyrazol-1-yl)-3-fluoropyridine

4-(4-bromopyrazol-1-yl)-3-fluoropyridine (PubChem CID 118450422) has the molecular formula C8H5BrFN3 and a molecular weight of 242.05 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-3-fluoropyridine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-3-fluoropyridine
PubChem CID118450422
Molecular FormulaC8H5BrFN3
Molecular Weight242.05 g/mol
Exact Mass240.97
IUPAC Name4-(4-bromopyrazol-1-yl)-3-fluoropyridine
SMILESFc1cnccc1-n1cc(Br)cn1
InChIInChI=1S/C8H5BrFN3/c9-6-3-12-13(5-6)8-1-2-11-4-7(8)10/h1-5H
InChIKeyWKCDRBPMYKUWMN-UHFFFAOYSA-N
XLogP2.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-3-fluoropyridine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-3-fluoropyridine (CID 118450422) is 4-(4-bromopyrazol-1-yl)-3-fluoropyridine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-3-fluoropyridine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-3-fluoropyridine is Fc1cnccc1-n1cc(Br)cn1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-3-fluoropyridine?
The InChIKey is WKCDRBPMYKUWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN3/c9-6-3-12-13(5-6)8-1-2-11-4-7(8)10/h1-5H.
What are the key properties of 4-(4-bromopyrazol-1-yl)-3-fluoropyridine?
4-(4-bromopyrazol-1-yl)-3-fluoropyridine has a molecular weight of 242.05 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-3-fluoropyridine is sourced from PubChem (CID 118450422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).