1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol

C14H14INO — CID 66460323

IUPAC1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol
SMILESCc1ccc(CC(O)c2ccc(I)cc2)nc1
InChIInChI=1S/C14H14INO/c1-10-2-7-13(16-9-10)8-14(17)11-3-5-12(15)6-4-11/h2-7,9,14,17H,8H2,1H3
InChIKeyUFBRDRHXFIVDEK-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.27
Rot. Bonds3

About 1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol

1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol (PubChem CID 66460323) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol
PubChem CID66460323
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol
SMILESCc1ccc(CC(O)c2ccc(I)cc2)nc1
InChIInChI=1S/C14H14INO/c1-10-2-7-13(16-9-10)8-14(17)11-3-5-12(15)6-4-11/h2-7,9,14,17H,8H2,1H3
InChIKeyUFBRDRHXFIVDEK-UHFFFAOYSA-N
XLogP3.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.27
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

2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethanol
CID 79740116
1-(4-iodophenyl)-2-(4-methylphenyl)ethanol
CID 63017730
1-(furan-3-yl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66461533
N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66448862
1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 107957878
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66461322
1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol
CID 83442584
1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol
CID 66460527
3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol
CID 66459924
1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66461531
1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 114024113
2-[2-bromo-2-(3-iodophenyl)ethyl]-5-methylpyridine
CID 66454437

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol (CID 66460323) is 1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol is Cc1ccc(CC(O)c2ccc(I)cc2)nc1.
What is the InChIKey of 1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol?
The InChIKey is UFBRDRHXFIVDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c1-10-2-7-13(16-9-10)8-14(17)11-3-5-12(15)6-4-11/h2-7,9,14,17H,8H2,1H3.
What are the key properties of 1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol?
1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol has a molecular weight of 339.18 g/mol, XLogP of 3.27, 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-(5-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 66460323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).