2-chloro-4-iodo-5-(trifluoromethyl)pyridine

C6H2ClF3IN — CID 2773791

IUPAC2-chloro-4-iodo-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Cl)cc1I
InChIInChI=1S/C6H2ClF3IN/c7-5-1-4(11)3(2-12-5)6(8,9)10/h1-2H
InChIKeyXEEQBBXEZSNIQV-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.36
Rot. Bonds

About 2-chloro-4-iodo-5-(trifluoromethyl)pyridine

2-chloro-4-iodo-5-(trifluoromethyl)pyridine (PubChem CID 2773791) has the molecular formula C6H2ClF3IN and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-chloro-4-iodo-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-iodo-5-(trifluoromethyl)pyridine
PubChem CID2773791
Molecular FormulaC6H2ClF3IN
Molecular Weight307.44 g/mol
Exact Mass306.89
IUPAC Name2-chloro-4-iodo-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Cl)cc1I
InChIInChI=1S/C6H2ClF3IN/c7-5-1-4(11)3(2-12-5)6(8,9)10/h1-2H
InChIKeyXEEQBBXEZSNIQV-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.36
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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Related Compounds

2-Chloropyridine
CID 7977
3-Chloropyridine
CID 12287
2-Chloro-5-trichloromethylpyridine
CID 50293
2-Chloro-5-(trifluoromethyl)pyridine
CID 92342
4-Chloropyridine
CID 12288
2,5-Dichloropyridine
CID 27685
3-(Chloromethyl)pyridine
CID 18358
2-Chloro-5-methyl-pyridine
CID 581393
5-(Aminomethyl)-2-chloropyridine
CID 7020927
(2-Chloropyridin-4-yl)methanamine
CID 2794167
3-(Difluoromethyl)pyridine
CID 640475
4-(Difluoromethyl)pyridine
CID 640476

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-4-iodo-5-(trifluoromethyl)pyridine (CID 2773791) is 2-chloro-4-iodo-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-4-iodo-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-4-iodo-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Cl)cc1I.
What is the InChIKey of 2-chloro-4-iodo-5-(trifluoromethyl)pyridine?
The InChIKey is XEEQBBXEZSNIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3IN/c7-5-1-4(11)3(2-12-5)6(8,9)10/h1-2H.
What are the key properties of 2-chloro-4-iodo-5-(trifluoromethyl)pyridine?
2-chloro-4-iodo-5-(trifluoromethyl)pyridine has a molecular weight of 307.44 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2773791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).