1-(4-iodophenyl)-2-pyridin-3-ylethanol

C13H12INO — CID 115832159

IUPAC1-(4-iodophenyl)-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1ccc(I)cc1
InChIInChI=1S/C13H12INO/c14-12-5-3-11(4-6-12)13(16)8-10-2-1-7-15-9-10/h1-7,9,13,16H,8H2
InChIKeyOAZRTOJOPSJFJM-UHFFFAOYSA-N
MW325.15 g/mol
LogP2.96
Rot. Bonds3

About 1-(4-iodophenyl)-2-pyridin-3-ylethanol

1-(4-iodophenyl)-2-pyridin-3-ylethanol (PubChem CID 115832159) has the molecular formula C13H12INO and a molecular weight of 325.15 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-pyridin-3-ylethanol
PubChem CID115832159
Molecular FormulaC13H12INO
Molecular Weight325.15 g/mol
Exact Mass325.00
IUPAC Name1-(4-iodophenyl)-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1ccc(I)cc1
InChIInChI=1S/C13H12INO/c14-12-5-3-11(4-6-12)13(16)8-10-2-1-7-15-9-10/h1-7,9,13,16H,8H2
InChIKeyOAZRTOJOPSJFJM-UHFFFAOYSA-N
XLogP2.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 104735818
1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
1-naphthalen-2-yl-2-pyridin-3-ylethanol
CID 62790666
2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 104735698
1-(3,5-dichlorophenyl)-2-pyridin-3-ylethanol
CID 113446836
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 113446855
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol
CID 104736133
1-(2-methylphenyl)-2-pyridin-3-ylethanol
CID 62551193

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-pyridin-3-ylethanol?
The IUPAC name of 1-(4-iodophenyl)-2-pyridin-3-ylethanol (CID 115832159) is 1-(4-iodophenyl)-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-(4-iodophenyl)-2-pyridin-3-ylethanol?
The canonical SMILES for 1-(4-iodophenyl)-2-pyridin-3-ylethanol is OC(Cc1cccnc1)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-2-pyridin-3-ylethanol?
The InChIKey is OAZRTOJOPSJFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO/c14-12-5-3-11(4-6-12)13(16)8-10-2-1-7-15-9-10/h1-7,9,13,16H,8H2.
What are the key properties of 1-(4-iodophenyl)-2-pyridin-3-ylethanol?
1-(4-iodophenyl)-2-pyridin-3-ylethanol has a molecular weight of 325.15 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-pyridin-3-ylethanol is sourced from PubChem (CID 115832159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).