4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine

C7H10F2IN — CID 167142335

IUPAC4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine
SMILESCC1=C(I)NC(C)CC1(F)F
InChIInChI=1S/C7H10F2IN/c1-4-3-7(8,9)5(2)6(10)11-4/h4,11H,3H2,1-2H3
InChIKeyFSJFWONWZIOMBK-UHFFFAOYSA-N
MW273.06 g/mol
LogP2.67
Rot. Bonds

About 4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine

4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine (PubChem CID 167142335) has the molecular formula C7H10F2IN and a molecular weight of 273.06 g/mol. Its IUPAC name is 4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine.

Molecular Properties

Compound Name4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine
PubChem CID167142335
Molecular FormulaC7H10F2IN
Molecular Weight273.06 g/mol
Exact Mass272.98
IUPAC Name4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine
SMILESCC1=C(I)NC(C)CC1(F)F
InChIInChI=1S/C7H10F2IN/c1-4-3-7(8,9)5(2)6(10)11-4/h4,11H,3H2,1-2H3
InChIKeyFSJFWONWZIOMBK-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.06
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine?
The IUPAC name of 4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine (CID 167142335) is 4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine.
What is the SMILES notation for 4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine?
The canonical SMILES for 4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine is CC1=C(I)NC(C)CC1(F)F.
What is the InChIKey of 4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine?
The InChIKey is FSJFWONWZIOMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2IN/c1-4-3-7(8,9)5(2)6(10)11-4/h4,11H,3H2,1-2H3.
What are the key properties of 4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine?
4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine has a molecular weight of 273.06 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-6-iodo-2,5-dimethyl-2,3-dihydro-1H-pyridine is sourced from PubChem (CID 167142335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).