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

C13H12INO — CID 66459481

IUPAC1-(2-iodophenyl)-2-pyridin-2-ylethanol
SMILESOC(Cc1ccccn1)c1ccccc1I
InChIInChI=1S/C13H12INO/c14-12-7-2-1-6-11(12)13(16)9-10-5-3-4-8-15-10/h1-8,13,16H,9H2
InChIKeyJDSNLSGWALSUGP-UHFFFAOYSA-N
MW325.15 g/mol
LogP2.96
Rot. Bonds3

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

1-(2-iodophenyl)-2-pyridin-2-ylethanol (PubChem CID 66459481) has the molecular formula C13H12INO and a molecular weight of 325.15 g/mol. Its IUPAC name is 1-(2-iodophenyl)-2-pyridin-2-ylethanol.

Molecular Properties

Compound Name1-(2-iodophenyl)-2-pyridin-2-ylethanol
PubChem CID66459481
Molecular FormulaC13H12INO
Molecular Weight325.15 g/mol
Exact Mass325.00
IUPAC Name1-(2-iodophenyl)-2-pyridin-2-ylethanol
SMILESOC(Cc1ccccn1)c1ccccc1I
InChIInChI=1S/C13H12INO/c14-12-7-2-1-6-11(12)13(16)9-10-5-3-4-8-15-10/h1-8,13,16H,9H2
InChIKeyJDSNLSGWALSUGP-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

1,2-dipyridin-2-ylethanol
CID 11458306
1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol
CID 106645019
1-(1-benzofuran-3-yl)-2-pyridin-2-ylethanol
CID 66458875
1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol
CID 66461092
2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol
CID 115819308
2-(4-bromophenyl)-1-(2-iodophenyl)ethanol
CID 63016179
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
1-(3-methoxypyrazin-2-yl)-2-pyridin-2-ylethanol
CID 104515074
1-(1-ethylimidazol-2-yl)-2-pyridin-2-ylethanol
CID 63977321
1-(4-cyclopropylphenyl)-2-pyridin-2-ylethanol
CID 79980417
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol
CID 67759661

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-2-pyridin-2-ylethanol?
The IUPAC name of 1-(2-iodophenyl)-2-pyridin-2-ylethanol (CID 66459481) is 1-(2-iodophenyl)-2-pyridin-2-ylethanol.
What is the SMILES notation for 1-(2-iodophenyl)-2-pyridin-2-ylethanol?
The canonical SMILES for 1-(2-iodophenyl)-2-pyridin-2-ylethanol is OC(Cc1ccccn1)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-2-pyridin-2-ylethanol?
The InChIKey is JDSNLSGWALSUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO/c14-12-7-2-1-6-11(12)13(16)9-10-5-3-4-8-15-10/h1-8,13,16H,9H2.
What are the key properties of 1-(2-iodophenyl)-2-pyridin-2-ylethanol?
1-(2-iodophenyl)-2-pyridin-2-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-(2-iodophenyl)-2-pyridin-2-ylethanol is sourced from PubChem (CID 66459481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).