2-(4-bromo-1H-pyrazol-5-yl)-5-fluoropyridine

C8H5BrFN3 — CID 83126459

IUPAC2-(4-bromo-1H-pyrazol-5-yl)-5-fluoropyridine
SMILESFc1ccc(-c2[nH]ncc2Br)nc1
InChIInChI=1S/C8H5BrFN3/c9-6-4-12-13-8(6)7-2-1-5(10)3-11-7/h1-4H,(H,12,13)
InChIKeyBDHAZRCYLHSAIY-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.37
Rot. Bonds1

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

2-(4-bromo-1H-pyrazol-5-yl)-5-fluoropyridine (PubChem CID 83126459) has the molecular formula C8H5BrFN3 and a molecular weight of 242.05 g/mol. Its IUPAC name is 2-(4-bromo-1H-pyrazol-5-yl)-5-fluoropyridine.

Molecular Properties

Compound Name2-(4-bromo-1H-pyrazol-5-yl)-5-fluoropyridine
PubChem CID83126459
Molecular FormulaC8H5BrFN3
Molecular Weight242.05 g/mol
Exact Mass240.97
IUPAC Name2-(4-bromo-1H-pyrazol-5-yl)-5-fluoropyridine
SMILESFc1ccc(-c2[nH]ncc2Br)nc1
InChIInChI=1S/C8H5BrFN3/c9-6-4-12-13-8(6)7-2-1-5(10)3-11-7/h1-4H,(H,12,13)
InChIKeyBDHAZRCYLHSAIY-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1H-pyrazol-5-yl)-5-fluoropyridine?
The IUPAC name of 2-(4-bromo-1H-pyrazol-5-yl)-5-fluoropyridine (CID 83126459) is 2-(4-bromo-1H-pyrazol-5-yl)-5-fluoropyridine.
What is the SMILES notation for 2-(4-bromo-1H-pyrazol-5-yl)-5-fluoropyridine?
The canonical SMILES for 2-(4-bromo-1H-pyrazol-5-yl)-5-fluoropyridine is Fc1ccc(-c2[nH]ncc2Br)nc1.
What is the InChIKey of 2-(4-bromo-1H-pyrazol-5-yl)-5-fluoropyridine?
The InChIKey is BDHAZRCYLHSAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN3/c9-6-4-12-13-8(6)7-2-1-5(10)3-11-7/h1-4H,(H,12,13).
What are the key properties of 2-(4-bromo-1H-pyrazol-5-yl)-5-fluoropyridine?
2-(4-bromo-1H-pyrazol-5-yl)-5-fluoropyridine has a molecular weight of 242.05 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1H-pyrazol-5-yl)-5-fluoropyridine is sourced from PubChem (CID 83126459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).