(1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol

C13H12INO — CID 124638281

IUPAC(1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol
SMILESC[C@@](O)(c1ccc(I)cc1)c1cccnc1
InChIInChI=1S/C13H12INO/c1-13(16,11-3-2-8-15-9-11)10-4-6-12(14)7-5-10/h2-9,16H,1H3/t13-/m1/s1
InChIKeyCCUAOJVJSZIOIX-CYBMUJFWSA-N
MW325.15 g/mol
LogP2.94
Rot. Bonds2

About (1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol

(1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol (PubChem CID 124638281) has the molecular formula C13H12INO and a molecular weight of 325.15 g/mol. Its IUPAC name is (1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol
PubChem CID124638281
Molecular FormulaC13H12INO
Molecular Weight325.15 g/mol
Exact Mass325.00
IUPAC Name(1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol
SMILESC[C@@](O)(c1ccc(I)cc1)c1cccnc1
InChIInChI=1S/C13H12INO/c1-13(16,11-3-2-8-15-9-11)10-4-6-12(14)7-5-10/h2-9,16H,1H3/t13-/m1/s1
InChIKeyCCUAOJVJSZIOIX-CYBMUJFWSA-N
XLogP2.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol 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 (1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol?
The IUPAC name of (1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol (CID 124638281) is (1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol.
What is the SMILES notation for (1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol?
The canonical SMILES for (1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol is C[C@@](O)(c1ccc(I)cc1)c1cccnc1.
What is the InChIKey of (1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol?
The InChIKey is CCUAOJVJSZIOIX-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H12INO/c1-13(16,11-3-2-8-15-9-11)10-4-6-12(14)7-5-10/h2-9,16H,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol?
(1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol has a molecular weight of 325.15 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol is sourced from PubChem (CID 124638281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).