6-iodo-2-(4-methylphenyl)pyridin-3-ol

C12H10INO — CID 796642

IUPAC6-iodo-2-(4-methylphenyl)pyridin-3-ol
SMILESCc1ccc(-c2nc(I)ccc2O)cc1
InChIInChI=1S/C12H10INO/c1-8-2-4-9(5-3-8)12-10(15)6-7-11(13)14-12/h2-7,15H,1H3
InChIKeyDPNWAYPQULTRFO-UHFFFAOYSA-N
MW311.12 g/mol
LogP3.37
Rot. Bonds1

About 6-iodo-2-(4-methylphenyl)pyridin-3-ol

6-iodo-2-(4-methylphenyl)pyridin-3-ol (PubChem CID 796642) has the molecular formula C12H10INO and a molecular weight of 311.12 g/mol. Its IUPAC name is 6-iodo-2-(4-methylphenyl)pyridin-3-ol.

Molecular Properties

Compound Name6-iodo-2-(4-methylphenyl)pyridin-3-ol
PubChem CID796642
Molecular FormulaC12H10INO
Molecular Weight311.12 g/mol
Exact Mass310.98
IUPAC Name6-iodo-2-(4-methylphenyl)pyridin-3-ol
SMILESCc1ccc(-c2nc(I)ccc2O)cc1
InChIInChI=1S/C12H10INO/c1-8-2-4-9(5-3-8)12-10(15)6-7-11(13)14-12/h2-7,15H,1H3
InChIKeyDPNWAYPQULTRFO-UHFFFAOYSA-N
XLogP3.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-(4-methylphenyl)pyridin-3-ol?
The IUPAC name of 6-iodo-2-(4-methylphenyl)pyridin-3-ol (CID 796642) is 6-iodo-2-(4-methylphenyl)pyridin-3-ol.
What is the SMILES notation for 6-iodo-2-(4-methylphenyl)pyridin-3-ol?
The canonical SMILES for 6-iodo-2-(4-methylphenyl)pyridin-3-ol is Cc1ccc(-c2nc(I)ccc2O)cc1.
What is the InChIKey of 6-iodo-2-(4-methylphenyl)pyridin-3-ol?
The InChIKey is DPNWAYPQULTRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO/c1-8-2-4-9(5-3-8)12-10(15)6-7-11(13)14-12/h2-7,15H,1H3.
What are the key properties of 6-iodo-2-(4-methylphenyl)pyridin-3-ol?
6-iodo-2-(4-methylphenyl)pyridin-3-ol has a molecular weight of 311.12 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-(4-methylphenyl)pyridin-3-ol is sourced from PubChem (CID 796642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).