LNJYAYDBHPJELN-UHFFFAOYSA-N

C₇H₅F₃IN — CID 135125549

About LNJYAYDBHPJELN-UHFFFAOYSA-N

LNJYAYDBHPJELN-UHFFFAOYSA-N (PubChem CID 135125549) has the molecular formula C₇H₅F₃IN and a molecular weight of 287.02 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine.

Molecular Properties

• Compound Name: LNJYAYDBHPJELN-UHFFFAOYSA-N
• PubChem CID: 135125549
• Molecular Formula: C₇H₅F₃IN
• Molecular Weight: 287.02 g/mol
• Exact Mass: 286.94
• IUPAC Name: 2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine
• SMILES: Fc1ccc(C(F)(F)CI)nc1
• InChI: InChI=1S/C7H5F3IN/c8-5-1-2-6(12-3-5)7(9,10)4-11/h1-3H,4H2
• InChIKey: LNJYAYDBHPJELN-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.02
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of LNJYAYDBHPJELN-UHFFFAOYSA-N?

The IUPAC name of LNJYAYDBHPJELN-UHFFFAOYSA-N (CID 135125549) is 2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine.

What is the SMILES notation for LNJYAYDBHPJELN-UHFFFAOYSA-N?

The canonical SMILES for LNJYAYDBHPJELN-UHFFFAOYSA-N is Fc1ccc(C(F)(F)CI)nc1.

What is the InChIKey of LNJYAYDBHPJELN-UHFFFAOYSA-N?

The InChIKey is LNJYAYDBHPJELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3IN/c8-5-1-2-6(12-3-5)7(9,10)4-11/h1-3H,4H2.

What are the key properties of LNJYAYDBHPJELN-UHFFFAOYSA-N?

LNJYAYDBHPJELN-UHFFFAOYSA-N has a molecular weight of 287.02 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for LNJYAYDBHPJELN-UHFFFAOYSA-N is sourced from PubChem (CID 135125549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135125549 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.