3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol

C12H14F3N3O — CID 102627014

IUPAC3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol
SMILESCCC(N)C(O)(c1cccc2nccn12)C(F)(F)F
InChIInChI=1S/C12H14F3N3O/c1-2-8(16)11(19,12(13,14)15)9-4-3-5-10-17-6-7-18(9)10/h3-8,19H,2,16H2,1H3
InChIKeyGJRQFIQNGPQPNU-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.82
Rot. Bonds3

About 3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol

3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol (PubChem CID 102627014) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol
PubChem CID102627014
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol
SMILESCCC(N)C(O)(c1cccc2nccn12)C(F)(F)F
InChIInChI=1S/C12H14F3N3O/c1-2-8(16)11(19,12(13,14)15)9-4-3-5-10-17-6-7-18(9)10/h3-8,19H,2,16H2,1H3
InChIKeyGJRQFIQNGPQPNU-UHFFFAOYSA-N
XLogP1.82
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol (CID 102627014) is 3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol is CCC(N)C(O)(c1cccc2nccn12)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol?
The InChIKey is GJRQFIQNGPQPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-2-8(16)11(19,12(13,14)15)9-4-3-5-10-17-6-7-18(9)10/h3-8,19H,2,16H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol?
3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol has a molecular weight of 273.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol is sourced from PubChem (CID 102627014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).