1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol

C11H15F3N2O2 — CID 103147551

IUPAC1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
SMILESNc1cc(CC(O)CCOCC(F)(F)F)ccn1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)7-18-4-2-9(17)5-8-1-3-16-10(15)6-8/h1,3,6,9,17H,2,4-5,7H2,(H2,15,16)
InChIKeyAJTFBVFMLFQQOK-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.54
Rot. Bonds6

About 1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol

1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol (PubChem CID 103147551) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
PubChem CID103147551
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
SMILESNc1cc(CC(O)CCOCC(F)(F)F)ccn1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)7-18-4-2-9(17)5-8-1-3-16-10(15)6-8/h1,3,6,9,17H,2,4-5,7H2,(H2,15,16)
InChIKeyAJTFBVFMLFQQOK-UHFFFAOYSA-N
XLogP1.54
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol?
The IUPAC name of 1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol (CID 103147551) is 1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol is Nc1cc(CC(O)CCOCC(F)(F)F)ccn1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol?
The InChIKey is AJTFBVFMLFQQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c12-11(13,14)7-18-4-2-9(17)5-8-1-3-16-10(15)6-8/h1,3,6,9,17H,2,4-5,7H2,(H2,15,16).
What are the key properties of 1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol?
1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol has a molecular weight of 264.25 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol is sourced from PubChem (CID 103147551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).