5-(3-iodopropyl)-2-(trifluoromethyl)pyridine

C9H9F3IN — CID 54758386

IUPAC5-(3-iodopropyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CCCI)cn1
InChIInChI=1S/C9H9F3IN/c10-9(11,12)8-4-3-7(6-14-8)2-1-5-13/h3-4,6H,1-2,5H2
InChIKeyNRMGRAHYHMACQJ-UHFFFAOYSA-N
MW315.08 g/mol
LogP3.47
Rot. Bonds3

About 5-(3-iodopropyl)-2-(trifluoromethyl)pyridine

5-(3-iodopropyl)-2-(trifluoromethyl)pyridine (PubChem CID 54758386) has the molecular formula C9H9F3IN and a molecular weight of 315.08 g/mol. Its IUPAC name is 5-(3-iodopropyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(3-iodopropyl)-2-(trifluoromethyl)pyridine
PubChem CID54758386
Molecular FormulaC9H9F3IN
Molecular Weight315.08 g/mol
Exact Mass314.97
IUPAC Name5-(3-iodopropyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CCCI)cn1
InChIInChI=1S/C9H9F3IN/c10-9(11,12)8-4-3-7(6-14-8)2-1-5-13/h3-4,6H,1-2,5H2
InChIKeyNRMGRAHYHMACQJ-UHFFFAOYSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.08
LogP ≤ 53.47
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 5-(3-iodopropyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(3-iodopropyl)-2-(trifluoromethyl)pyridine (CID 54758386) is 5-(3-iodopropyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(3-iodopropyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(3-iodopropyl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(CCCI)cn1.
What is the InChIKey of 5-(3-iodopropyl)-2-(trifluoromethyl)pyridine?
The InChIKey is NRMGRAHYHMACQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3IN/c10-9(11,12)8-4-3-7(6-14-8)2-1-5-13/h3-4,6H,1-2,5H2.
What are the key properties of 5-(3-iodopropyl)-2-(trifluoromethyl)pyridine?
5-(3-iodopropyl)-2-(trifluoromethyl)pyridine has a molecular weight of 315.08 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-iodopropyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 54758386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).