4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine

C12H12FN3 — CID 142350851

IUPAC4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine
SMILESCc1cc(-n2cnc(C3CC3)c2)cc(F)n1
InChIInChI=1S/C12H12FN3/c1-8-4-10(5-12(13)15-8)16-6-11(14-7-16)9-2-3-9/h4-7,9H,2-3H2,1H3
InChIKeyONJHNVDBLUIMQG-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.59
Rot. Bonds2

About 4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine

4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine (PubChem CID 142350851) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine
PubChem CID142350851
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine
SMILESCc1cc(-n2cnc(C3CC3)c2)cc(F)n1
InChIInChI=1S/C12H12FN3/c1-8-4-10(5-12(13)15-8)16-6-11(14-7-16)9-2-3-9/h4-7,9H,2-3H2,1H3
InChIKeyONJHNVDBLUIMQG-UHFFFAOYSA-N
XLogP2.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.59
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 4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine (CID 142350851) is 4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine is Cc1cc(-n2cnc(C3CC3)c2)cc(F)n1.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine?
The InChIKey is ONJHNVDBLUIMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-8-4-10(5-12(13)15-8)16-6-11(14-7-16)9-2-3-9/h4-7,9H,2-3H2,1H3.
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine?
4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine has a molecular weight of 217.25 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-2-fluoro-6-methylpyridine is sourced from PubChem (CID 142350851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).