2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine

C9H8FN3 — CID 55266332

IUPAC2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine
SMILESCc1cc(-c2ncc[nH]2)cnc1F
InChIInChI=1S/C9H8FN3/c1-6-4-7(5-13-8(6)10)9-11-2-3-12-9/h2-5H,1H3,(H,11,12)
InChIKeyDYAKQYHLTKWRBV-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.92
Rot. Bonds1

About 2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine

2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine (PubChem CID 55266332) has the molecular formula C9H8FN3 and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine.

Molecular Properties

Compound Name2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine
PubChem CID55266332
Molecular FormulaC9H8FN3
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine
SMILESCc1cc(-c2ncc[nH]2)cnc1F
InChIInChI=1S/C9H8FN3/c1-6-4-7(5-13-8(6)10)9-11-2-3-12-9/h2-5H,1H3,(H,11,12)
InChIKeyDYAKQYHLTKWRBV-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1H-imidazol-2-yl)-3-methylpyridine?
The IUPAC name of 2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine (CID 55266332) is 2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine.
What is the SMILES notation for 2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine?
The canonical SMILES for 2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine is Cc1cc(-c2ncc[nH]2)cnc1F.
What is the InChIKey of 2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine?
The InChIKey is DYAKQYHLTKWRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3/c1-6-4-7(5-13-8(6)10)9-11-2-3-12-9/h2-5H,1H3,(H,11,12).
What are the key properties of 2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine?
2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine has a molecular weight of 177.18 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine is sourced from PubChem (CID 55266332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).