1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol

C14H14INO — CID 114029826

IUPAC1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol
SMILESCc1cccc(C(O)Cc2ccncc2)c1I
InChIInChI=1S/C14H14INO/c1-10-3-2-4-12(14(10)15)13(17)9-11-5-7-16-8-6-11/h2-8,13,17H,9H2,1H3
InChIKeyQQNFGEXEYCXFJA-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.27
Rot. Bonds3

About 1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol

1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol (PubChem CID 114029826) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is 1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol.

Molecular Properties

Compound Name1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol
PubChem CID114029826
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol
SMILESCc1cccc(C(O)Cc2ccncc2)c1I
InChIInChI=1S/C14H14INO/c1-10-3-2-4-12(14(10)15)13(17)9-11-5-7-16-8-6-11/h2-8,13,17H,9H2,1H3
InChIKeyQQNFGEXEYCXFJA-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'}

Analyze 1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541
1-(4-methyl-3-pyridinyl)-2-phenylethanol
CID 66273306
(1R)-1-(2,3-dichlorophenyl)-2-pyridin-4-ylethanol
CID 129368105
1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 114030498
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
[1-(2-chloro-3-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317566
1-(3-ethyl-6-methylpyridazin-4-yl)-2-pyridin-4-ylethanol
CID 105108021
1-(2-methylphenyl)-2-pyridin-3-ylethanol
CID 62551193
1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 107982906
1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylethanol
CID 62791168
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
1-(2-iodo-3-methylphenyl)propan-1-amine
CID 103846034

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol?
The IUPAC name of 1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol (CID 114029826) is 1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol.
What is the SMILES notation for 1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol?
The canonical SMILES for 1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol is Cc1cccc(C(O)Cc2ccncc2)c1I.
What is the InChIKey of 1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol?
The InChIKey is QQNFGEXEYCXFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c1-10-3-2-4-12(14(10)15)13(17)9-11-5-7-16-8-6-11/h2-8,13,17H,9H2,1H3.
What are the key properties of 1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol?
1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol 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-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol is sourced from PubChem (CID 114029826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).