6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine

C7H8FIN2 — CID 163940039

IUPAC6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine
SMILESFC1=CN2C(I)CNC2C=C1
InChIInChI=1S/C7H8FIN2/c8-5-1-2-7-10-3-6(9)11(7)4-5/h1-2,4,6-7,10H,3H2
InChIKeyRQFAMRWELZMLAK-UHFFFAOYSA-N
MW266.06 g/mol
LogP1.36
Rot. Bonds

About 6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine

6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 163940039) has the molecular formula C7H8FIN2 and a molecular weight of 266.06 g/mol. Its IUPAC name is 6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine
PubChem CID163940039
Molecular FormulaC7H8FIN2
Molecular Weight266.06 g/mol
Exact Mass265.97
IUPAC Name6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine
SMILESFC1=CN2C(I)CNC2C=C1
InChIInChI=1S/C7H8FIN2/c8-5-1-2-7-10-3-6(9)11(7)4-5/h1-2,4,6-7,10H,3H2
InChIKeyRQFAMRWELZMLAK-UHFFFAOYSA-N
XLogP1.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine (CID 163940039) is 6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine is FC1=CN2C(I)CNC2C=C1.
What is the InChIKey of 6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is RQFAMRWELZMLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FIN2/c8-5-1-2-7-10-3-6(9)11(7)4-5/h1-2,4,6-7,10H,3H2.
What are the key properties of 6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine?
6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 266.06 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 163940039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).