2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine

C19H12BrFN4 — CID 59706938

IUPAC2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine
SMILESFc1cc(Br)ccc1-c1nc(-c2ccccn2)cn1-c1cccnc1
InChIInChI=1S/C19H12BrFN4/c20-13-6-7-15(16(21)10-13)19-24-18(17-5-1-2-9-23-17)12-25(19)14-4-3-8-22-11-14/h1-12H
InChIKeyAIXTWIBTBNUDLN-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.90
Rot. Bonds3

About 2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine

2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine (PubChem CID 59706938) has the molecular formula C19H12BrFN4 and a molecular weight of 395.24 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine
PubChem CID59706938
Molecular FormulaC19H12BrFN4
Molecular Weight395.24 g/mol
Exact Mass394.02
IUPAC Name2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine
SMILESFc1cc(Br)ccc1-c1nc(-c2ccccn2)cn1-c1cccnc1
InChIInChI=1S/C19H12BrFN4/c20-13-6-7-15(16(21)10-13)19-24-18(17-5-1-2-9-23-17)12-25(19)14-4-3-8-22-11-14/h1-12H
InChIKeyAIXTWIBTBNUDLN-UHFFFAOYSA-N
XLogP4.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine?
The IUPAC name of 2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine (CID 59706938) is 2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine.
What is the SMILES notation for 2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine?
The canonical SMILES for 2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine is Fc1cc(Br)ccc1-c1nc(-c2ccccn2)cn1-c1cccnc1.
What is the InChIKey of 2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine?
The InChIKey is AIXTWIBTBNUDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFN4/c20-13-6-7-15(16(21)10-13)19-24-18(17-5-1-2-9-23-17)12-25(19)14-4-3-8-22-11-14/h1-12H.
What are the key properties of 2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine?
2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine has a molecular weight of 395.24 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylimidazol-4-yl]pyridine is sourced from PubChem (CID 59706938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).