6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine

C12H16INO — CID 167220079

IUPAC6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine
SMILESCc1cc(I)nc(C)c1C1CCOCC1
InChIInChI=1S/C12H16INO/c1-8-7-11(13)14-9(2)12(8)10-3-5-15-6-4-10/h7,10H,3-6H2,1-2H3
InChIKeyACTOOCGIGACERX-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.20
Rot. Bonds1

About 6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine

6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine (PubChem CID 167220079) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is 6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine.

Molecular Properties

Compound Name6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine
PubChem CID167220079
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC Name6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine
SMILESCc1cc(I)nc(C)c1C1CCOCC1
InChIInChI=1S/C12H16INO/c1-8-7-11(13)14-9(2)12(8)10-3-5-15-6-4-10/h7,10H,3-6H2,1-2H3
InChIKeyACTOOCGIGACERX-UHFFFAOYSA-N
XLogP3.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.20
H-Bond Donors ≤ 50
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-dimethyl-3-(oxan-4-yl)pyridine?
The IUPAC name of 6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine (CID 167220079) is 6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine.
What is the SMILES notation for 6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine?
The canonical SMILES for 6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine is Cc1cc(I)nc(C)c1C1CCOCC1.
What is the InChIKey of 6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine?
The InChIKey is ACTOOCGIGACERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c1-8-7-11(13)14-9(2)12(8)10-3-5-15-6-4-10/h7,10H,3-6H2,1-2H3.
What are the key properties of 6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine?
6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine has a molecular weight of 317.17 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine is sourced from PubChem (CID 167220079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).