(3,5-diiodo-2-pyridinyl)methanol

C6H5I2NO — CID 133054700

IUPAC(3,5-diiodo-2-pyridinyl)methanol
SMILESOCc1ncc(I)cc1I
InChIInChI=1S/C6H5I2NO/c7-4-1-5(8)6(3-10)9-2-4/h1-2,10H,3H2
InChIKeyZQGOZPRSAFOITC-UHFFFAOYSA-N
MW360.92 g/mol
LogP1.78
Rot. Bonds1

About (3,5-diiodo-2-pyridinyl)methanol

(3,5-diiodo-2-pyridinyl)methanol (PubChem CID 133054700) has the molecular formula C6H5I2NO and a molecular weight of 360.92 g/mol. Its IUPAC name is (3,5-diiodo-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3,5-diiodo-2-pyridinyl)methanol
PubChem CID133054700
Molecular FormulaC6H5I2NO
Molecular Weight360.92 g/mol
Exact Mass360.85
IUPAC Name(3,5-diiodo-2-pyridinyl)methanol
SMILESOCc1ncc(I)cc1I
InChIInChI=1S/C6H5I2NO/c7-4-1-5(8)6(3-10)9-2-4/h1-2,10H,3H2
InChIKeyZQGOZPRSAFOITC-UHFFFAOYSA-N
XLogP1.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.92
LogP ≤ 51.78
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-(3,5-diiodo-2-pyridinyl)acetonitrile
CID 133057014
2-(chloromethyl)-3-fluoro-5-iodopyridine
CID 131115815
methyl 2-(3-fluoro-5-iodo-2-pyridinyl)acetate
CID 130926015
2-(bromomethyl)-3-fluoro-5-iodopyridine
CID 131051007
2-(bromomethyl)-3-chloro-5-iodopyridine
CID 133061012
2-(bromomethyl)-5-iodopyridin-3-amine
CID 133057818
[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
CID 130080189
[3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130113156
5-fluoro-2-(hydroxymethyl)pyridin-3-ol
CID 130850536
5-(hydroxymethyl)-2-iodopyridin-3-ol
CID 58053713
[5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 130783139
[3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130087709

Frequently Asked Questions

What is the IUPAC name of (3,5-diiodo-2-pyridinyl)methanol?
The IUPAC name of (3,5-diiodo-2-pyridinyl)methanol (CID 133054700) is (3,5-diiodo-2-pyridinyl)methanol.
What is the SMILES notation for (3,5-diiodo-2-pyridinyl)methanol?
The canonical SMILES for (3,5-diiodo-2-pyridinyl)methanol is OCc1ncc(I)cc1I.
What is the InChIKey of (3,5-diiodo-2-pyridinyl)methanol?
The InChIKey is ZQGOZPRSAFOITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5I2NO/c7-4-1-5(8)6(3-10)9-2-4/h1-2,10H,3H2.
What are the key properties of (3,5-diiodo-2-pyridinyl)methanol?
(3,5-diiodo-2-pyridinyl)methanol has a molecular weight of 360.92 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diiodo-2-pyridinyl)methanol is sourced from PubChem (CID 133054700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).