(2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol

C14H14INO2 — CID 114030462

IUPAC(2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
SMILESCOc1cncc(C(O)c2cccc(C)c2I)c1
InChIInChI=1S/C14H14INO2/c1-9-4-3-5-12(13(9)15)14(17)10-6-11(18-2)8-16-7-10/h3-8,14,17H,1-2H3
InChIKeyFSDNYVONMORTIL-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.08
Rot. Bonds3

About (2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol

(2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol (PubChem CID 114030462) has the molecular formula C14H14INO2 and a molecular weight of 355.18 g/mol. Its IUPAC name is (2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
PubChem CID114030462
Molecular FormulaC14H14INO2
Molecular Weight355.18 g/mol
Exact Mass355.01
IUPAC Name(2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
SMILESCOc1cncc(C(O)c2cccc(C)c2I)c1
InChIInChI=1S/C14H14INO2/c1-9-4-3-5-12(13(9)15)14(17)10-6-11(18-2)8-16-7-10/h3-8,14,17H,1-2H3
InChIKeyFSDNYVONMORTIL-UHFFFAOYSA-N
XLogP3.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol 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

(5-bromo-2-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828827
1-(2,3-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025757
N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025837
(5-methoxy-3-pyridinyl)-(3-methylfuran-2-yl)methanol
CID 104800797
(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
CID 115828863
[(2-fluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329831
(2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828878
(4-bromophenyl)-(2-iodo-3-methylphenyl)methanol
CID 114029440
(5-fluoro-3-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 105121302
(3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 82729580
(4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828955
(5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol
CID 115959972

Frequently Asked Questions

What is the IUPAC name of (2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol?
The IUPAC name of (2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol (CID 114030462) is (2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol.
What is the SMILES notation for (2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol?
The canonical SMILES for (2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol is COc1cncc(C(O)c2cccc(C)c2I)c1.
What is the InChIKey of (2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol?
The InChIKey is FSDNYVONMORTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2/c1-9-4-3-5-12(13(9)15)14(17)10-6-11(18-2)8-16-7-10/h3-8,14,17H,1-2H3.
What are the key properties of (2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol?
(2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol has a molecular weight of 355.18 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol is sourced from PubChem (CID 114030462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).