2-fluoro-5-(imidazol-1-ylmethyl)pyridine

C9H8FN3 — CID 71716351

IUPAC2-fluoro-5-(imidazol-1-ylmethyl)pyridine
SMILESFc1ccc(Cn2ccnc2)cn1
InChIInChI=1S/C9H8FN3/c10-9-2-1-8(5-12-9)6-13-4-3-11-7-13/h1-5,7H,6H2
InChIKeyCMAQSIBGZCKMDL-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.47
Rot. Bonds2

About 2-fluoro-5-(imidazol-1-ylmethyl)pyridine

2-fluoro-5-(imidazol-1-ylmethyl)pyridine (PubChem CID 71716351) has the molecular formula C9H8FN3 and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-fluoro-5-(imidazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-5-(imidazol-1-ylmethyl)pyridine
PubChem CID71716351
Molecular FormulaC9H8FN3
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name2-fluoro-5-(imidazol-1-ylmethyl)pyridine
SMILESFc1ccc(Cn2ccnc2)cn1
InChIInChI=1S/C9H8FN3/c10-9-2-1-8(5-12-9)6-13-4-3-11-7-13/h1-5,7H,6H2
InChIKeyCMAQSIBGZCKMDL-UHFFFAOYSA-N
XLogP1.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.47
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-5-(imidazol-1-ylmethyl)pyridine?
The IUPAC name of 2-fluoro-5-(imidazol-1-ylmethyl)pyridine (CID 71716351) is 2-fluoro-5-(imidazol-1-ylmethyl)pyridine.
What is the SMILES notation for 2-fluoro-5-(imidazol-1-ylmethyl)pyridine?
The canonical SMILES for 2-fluoro-5-(imidazol-1-ylmethyl)pyridine is Fc1ccc(Cn2ccnc2)cn1.
What is the InChIKey of 2-fluoro-5-(imidazol-1-ylmethyl)pyridine?
The InChIKey is CMAQSIBGZCKMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3/c10-9-2-1-8(5-12-9)6-13-4-3-11-7-13/h1-5,7H,6H2.
What are the key properties of 2-fluoro-5-(imidazol-1-ylmethyl)pyridine?
2-fluoro-5-(imidazol-1-ylmethyl)pyridine has a molecular weight of 177.18 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(imidazol-1-ylmethyl)pyridine is sourced from PubChem (CID 71716351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).