2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine

C15H12FN3 — CID 166402136

IUPAC2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine
SMILESFc1cccc(Cn2cnc(-c3ccccc3)c2)n1
InChIInChI=1S/C15H12FN3/c16-15-8-4-7-13(18-15)9-19-10-14(17-11-19)12-5-2-1-3-6-12/h1-8,10-11H,9H2
InChIKeyBSYDATPJRZZXIG-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.13
Rot. Bonds3

About 2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine

2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine (PubChem CID 166402136) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine
PubChem CID166402136
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine
SMILESFc1cccc(Cn2cnc(-c3ccccc3)c2)n1
InChIInChI=1S/C15H12FN3/c16-15-8-4-7-13(18-15)9-19-10-14(17-11-19)12-5-2-1-3-6-12/h1-8,10-11H,9H2
InChIKeyBSYDATPJRZZXIG-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

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 2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine?
The IUPAC name of 2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine (CID 166402136) is 2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine is Fc1cccc(Cn2cnc(-c3ccccc3)c2)n1.
What is the InChIKey of 2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine?
The InChIKey is BSYDATPJRZZXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-15-8-4-7-13(18-15)9-19-10-14(17-11-19)12-5-2-1-3-6-12/h1-8,10-11H,9H2.
What are the key properties of 2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine?
2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine 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-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine is sourced from PubChem (CID 166402136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).