3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol

C14H11F4IN2O — CID 118397062

IUPAC3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol
SMILESNCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(I)cn1
InChIInChI=1S/C14H11F4IN2O/c15-8-1-3-10(11(16)5-8)13(22,7-20)14(17,18)12-4-2-9(19)6-21-12/h1-6,22H,7,20H2
InChIKeyAEPOURGVZGGRCM-UHFFFAOYSA-N
MW426.15 g/mol
LogP2.90
Rot. Bonds4

About 3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol

3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol (PubChem CID 118397062) has the molecular formula C14H11F4IN2O and a molecular weight of 426.15 g/mol. Its IUPAC name is 3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol
PubChem CID118397062
Molecular FormulaC14H11F4IN2O
Molecular Weight426.15 g/mol
Exact Mass425.99
IUPAC Name3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol
SMILESNCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(I)cn1
InChIInChI=1S/C14H11F4IN2O/c15-8-1-3-10(11(16)5-8)13(22,7-20)14(17,18)12-4-2-9(19)6-21-12/h1-6,22H,7,20H2
InChIKeyAEPOURGVZGGRCM-UHFFFAOYSA-N
XLogP2.90
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.15
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-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 3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol?
The IUPAC name of 3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol (CID 118397062) is 3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol?
The canonical SMILES for 3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol is NCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(I)cn1.
What is the InChIKey of 3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol?
The InChIKey is AEPOURGVZGGRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4IN2O/c15-8-1-3-10(11(16)5-8)13(22,7-20)14(17,18)12-4-2-9(19)6-21-12/h1-6,22H,7,20H2.
What are the key properties of 3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol?
3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol has a molecular weight of 426.15 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 118397062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).