2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine

C12H6ClF3IN — CID 119000682

IUPAC2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(I)cnc2Cl)cc1
InChIInChI=1S/C12H6ClF3IN/c13-11-10(5-9(17)6-18-11)7-1-3-8(4-2-7)12(14,15)16/h1-6H
InChIKeySHUIDGIROSJPIH-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.03
Rot. Bonds1

About 2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine

2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 119000682) has the molecular formula C12H6ClF3IN and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID119000682
Molecular FormulaC12H6ClF3IN
Molecular Weight383.54 g/mol
Exact Mass382.92
IUPAC Name2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(I)cnc2Cl)cc1
InChIInChI=1S/C12H6ClF3IN/c13-11-10(5-9(17)6-18-11)7-1-3-8(4-2-7)12(14,15)16/h1-6H
InChIKeySHUIDGIROSJPIH-UHFFFAOYSA-N
XLogP5.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine (CID 119000682) is 2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cc(I)cnc2Cl)cc1.
What is the InChIKey of 2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is SHUIDGIROSJPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3IN/c13-11-10(5-9(17)6-18-11)7-1-3-8(4-2-7)12(14,15)16/h1-6H.
What are the key properties of 2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine?
2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 383.54 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 119000682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).