4-(4-bromoimidazol-1-yl)-2-fluoropyridine

C8H5BrFN3 — CID 66520758

IUPAC4-(4-bromoimidazol-1-yl)-2-fluoropyridine
SMILESFc1cc(-n2cnc(Br)c2)ccn1
InChIInChI=1S/C8H5BrFN3/c9-7-4-13(5-12-7)6-1-2-11-8(10)3-6/h1-5H
InChIKeyZGHKVQMMCGACNO-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.17
Rot. Bonds1

About 4-(4-bromoimidazol-1-yl)-2-fluoropyridine

4-(4-bromoimidazol-1-yl)-2-fluoropyridine (PubChem CID 66520758) has the molecular formula C8H5BrFN3 and a molecular weight of 242.05 g/mol. Its IUPAC name is 4-(4-bromoimidazol-1-yl)-2-fluoropyridine.

Molecular Properties

Compound Name4-(4-bromoimidazol-1-yl)-2-fluoropyridine
PubChem CID66520758
Molecular FormulaC8H5BrFN3
Molecular Weight242.05 g/mol
Exact Mass240.97
IUPAC Name4-(4-bromoimidazol-1-yl)-2-fluoropyridine
SMILESFc1cc(-n2cnc(Br)c2)ccn1
InChIInChI=1S/C8H5BrFN3/c9-7-4-13(5-12-7)6-1-2-11-8(10)3-6/h1-5H
InChIKeyZGHKVQMMCGACNO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromoimidazol-1-yl)-2-fluoropyridine?
The IUPAC name of 4-(4-bromoimidazol-1-yl)-2-fluoropyridine (CID 66520758) is 4-(4-bromoimidazol-1-yl)-2-fluoropyridine.
What is the SMILES notation for 4-(4-bromoimidazol-1-yl)-2-fluoropyridine?
The canonical SMILES for 4-(4-bromoimidazol-1-yl)-2-fluoropyridine is Fc1cc(-n2cnc(Br)c2)ccn1.
What is the InChIKey of 4-(4-bromoimidazol-1-yl)-2-fluoropyridine?
The InChIKey is ZGHKVQMMCGACNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN3/c9-7-4-13(5-12-7)6-1-2-11-8(10)3-6/h1-5H.
What are the key properties of 4-(4-bromoimidazol-1-yl)-2-fluoropyridine?
4-(4-bromoimidazol-1-yl)-2-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-bromoimidazol-1-yl)-2-fluoropyridine is sourced from PubChem (CID 66520758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).