2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine

C9H7F5IN — CID 167136090

IUPAC2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine
SMILESFC(F)(F)Cc1ccc(C(F)(F)CI)nc1
InChIInChI=1S/C9H7F5IN/c10-8(11,5-15)7-2-1-6(4-16-7)3-9(12,13)14/h1-2,4H,3,5H2
InChIKeyUMSVNWBLTWPYIO-UHFFFAOYSA-N
MW351.06 g/mol
LogP3.71
Rot. Bonds3

About 2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine

2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine (PubChem CID 167136090) has the molecular formula C9H7F5IN and a molecular weight of 351.06 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine.

Molecular Properties

Compound Name2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine
PubChem CID167136090
Molecular FormulaC9H7F5IN
Molecular Weight351.06 g/mol
Exact Mass350.95
IUPAC Name2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine
SMILESFC(F)(F)Cc1ccc(C(F)(F)CI)nc1
InChIInChI=1S/C9H7F5IN/c10-8(11,5-15)7-2-1-6(4-16-7)3-9(12,13)14/h1-2,4H,3,5H2
InChIKeyUMSVNWBLTWPYIO-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.06
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine?
The IUPAC name of 2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine (CID 167136090) is 2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine.
What is the SMILES notation for 2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine?
The canonical SMILES for 2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine is FC(F)(F)Cc1ccc(C(F)(F)CI)nc1.
What is the InChIKey of 2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine?
The InChIKey is UMSVNWBLTWPYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5IN/c10-8(11,5-15)7-2-1-6(4-16-7)3-9(12,13)14/h1-2,4H,3,5H2.
What are the key properties of 2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine?
2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine has a molecular weight of 351.06 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine is sourced from PubChem (CID 167136090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).