2-(1-benzylimidazol-4-yl)-5-fluoropyridine

C15H12FN3 — CID 139553844

IUPAC2-(1-benzylimidazol-4-yl)-5-fluoropyridine
SMILESFc1ccc(-c2cn(Cc3ccccc3)cn2)nc1
InChIInChI=1S/C15H12FN3/c16-13-6-7-14(17-8-13)15-10-19(11-18-15)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2
InChIKeyKGFMHKGAFHUEJX-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.13
Rot. Bonds3

About 2-(1-benzylimidazol-4-yl)-5-fluoropyridine

2-(1-benzylimidazol-4-yl)-5-fluoropyridine (PubChem CID 139553844) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-(1-benzylimidazol-4-yl)-5-fluoropyridine.

Molecular Properties

Compound Name2-(1-benzylimidazol-4-yl)-5-fluoropyridine
PubChem CID139553844
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name2-(1-benzylimidazol-4-yl)-5-fluoropyridine
SMILESFc1ccc(-c2cn(Cc3ccccc3)cn2)nc1
InChIInChI=1S/C15H12FN3/c16-13-6-7-14(17-8-13)15-10-19(11-18-15)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2
InChIKeyKGFMHKGAFHUEJX-UHFFFAOYSA-N
XLogP3.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-4-yl)-5-fluoropyridine?
The IUPAC name of 2-(1-benzylimidazol-4-yl)-5-fluoropyridine (CID 139553844) is 2-(1-benzylimidazol-4-yl)-5-fluoropyridine.
What is the SMILES notation for 2-(1-benzylimidazol-4-yl)-5-fluoropyridine?
The canonical SMILES for 2-(1-benzylimidazol-4-yl)-5-fluoropyridine is Fc1ccc(-c2cn(Cc3ccccc3)cn2)nc1.
What is the InChIKey of 2-(1-benzylimidazol-4-yl)-5-fluoropyridine?
The InChIKey is KGFMHKGAFHUEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-13-6-7-14(17-8-13)15-10-19(11-18-15)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2.
What are the key properties of 2-(1-benzylimidazol-4-yl)-5-fluoropyridine?
2-(1-benzylimidazol-4-yl)-5-fluoropyridine has a molecular weight of 253.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-4-yl)-5-fluoropyridine is sourced from PubChem (CID 139553844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).