8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium

C11H14FN2+ — CID 168769630

IUPAC8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium
SMILESCC1C=[n+]2cc(C(C)C)cc(F)c2=N1
InChIInChI=1S/C11H14FN2/c1-7(2)9-4-10(12)11-13-8(3)5-14(11)6-9/h4-8H,1-3H3/q+1
InChIKeyFSPANEBBIOXHDO-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.27
Rot. Bonds1

About 8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium

8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium (PubChem CID 168769630) has the molecular formula C11H14FN2+ and a molecular weight of 193.24 g/mol. Its IUPAC name is 8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium
PubChem CID168769630
Molecular FormulaC11H14FN2+
Molecular Weight193.24 g/mol
Exact Mass193.11
IUPAC Name8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium
SMILESCC1C=[n+]2cc(C(C)C)cc(F)c2=N1
InChIInChI=1S/C11H14FN2/c1-7(2)9-4-10(12)11-13-8(3)5-14(11)6-9/h4-8H,1-3H3/q+1
InChIKeyFSPANEBBIOXHDO-UHFFFAOYSA-N
XLogP1.27
TPSA18.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium (CID 168769630) is 8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium is CC1C=[n+]2cc(C(C)C)cc(F)c2=N1.
What is the InChIKey of 8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium?
The InChIKey is FSPANEBBIOXHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN2/c1-7(2)9-4-10(12)11-13-8(3)5-14(11)6-9/h4-8H,1-3H3/q+1.
What are the key properties of 8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium?
8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium has a molecular weight of 193.24 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-6-propan-2-yl-2H-imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 168769630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).