2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine

C12H16INO — CID 130583573

IUPAC2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine
SMILESCC1(CI)CCC(C)(c2ccccn2)O1
InChIInChI=1S/C12H16INO/c1-11(9-13)6-7-12(2,15-11)10-5-3-4-8-14-10/h3-5,8H,6-7,9H2,1-2H3
InChIKeyNKIIRRDTCJJAGW-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.30
Rot. Bonds2

About 2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine

2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine (PubChem CID 130583573) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine
PubChem CID130583573
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC Name2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine
SMILESCC1(CI)CCC(C)(c2ccccn2)O1
InChIInChI=1S/C12H16INO/c1-11(9-13)6-7-12(2,15-11)10-5-3-4-8-14-10/h3-5,8H,6-7,9H2,1-2H3
InChIKeyNKIIRRDTCJJAGW-UHFFFAOYSA-N
XLogP3.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine?
The IUPAC name of 2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine (CID 130583573) is 2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine.
What is the SMILES notation for 2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine?
The canonical SMILES for 2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine is CC1(CI)CCC(C)(c2ccccn2)O1.
What is the InChIKey of 2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine?
The InChIKey is NKIIRRDTCJJAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c1-11(9-13)6-7-12(2,15-11)10-5-3-4-8-14-10/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of 2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine?
2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine has a molecular weight of 317.17 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine is sourced from PubChem (CID 130583573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).