2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine

C11H14F2INO2 — CID 162588321

IUPAC2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine
SMILESCOCOc1ccc(C(C)(C)C(F)(F)I)nc1
InChIInChI=1S/C11H14F2INO2/c1-10(2,11(12,13)14)9-5-4-8(6-15-9)17-7-16-3/h4-6H,7H2,1-3H3
InChIKeyUJLCUHKHTNVQNF-UHFFFAOYSA-N
MW357.14 g/mol
LogP3.37
Rot. Bonds5

About 2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine

2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine (PubChem CID 162588321) has the molecular formula C11H14F2INO2 and a molecular weight of 357.14 g/mol. Its IUPAC name is 2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine.

Molecular Properties

Compound Name2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine
PubChem CID162588321
Molecular FormulaC11H14F2INO2
Molecular Weight357.14 g/mol
Exact Mass357.00
IUPAC Name2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine
SMILESCOCOc1ccc(C(C)(C)C(F)(F)I)nc1
InChIInChI=1S/C11H14F2INO2/c1-10(2,11(12,13)14)9-5-4-8(6-15-9)17-7-16-3/h4-6H,7H2,1-3H3
InChIKeyUJLCUHKHTNVQNF-UHFFFAOYSA-N
XLogP3.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.14
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine?
The IUPAC name of 2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine (CID 162588321) is 2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine.
What is the SMILES notation for 2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine?
The canonical SMILES for 2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine is COCOc1ccc(C(C)(C)C(F)(F)I)nc1.
What is the InChIKey of 2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine?
The InChIKey is UJLCUHKHTNVQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2INO2/c1-10(2,11(12,13)14)9-5-4-8(6-15-9)17-7-16-3/h4-6H,7H2,1-3H3.
What are the key properties of 2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine?
2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine has a molecular weight of 357.14 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine is sourced from PubChem (CID 162588321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).