2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine

C6HCl2F3IN — CID 102368272

IUPAC2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)c(Cl)nc1I
InChIInChI=1S/C6HCl2F3IN/c7-3-1-2(6(9,10)11)5(12)13-4(3)8/h1H
InChIKeyCVBMTRJVFYWSCW-UHFFFAOYSA-N
MW341.89 g/mol
LogP4.01
Rot. Bonds

About 2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine

2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine (PubChem CID 102368272) has the molecular formula C6HCl2F3IN and a molecular weight of 341.89 g/mol. Its IUPAC name is 2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine
PubChem CID102368272
Molecular FormulaC6HCl2F3IN
Molecular Weight341.89 g/mol
Exact Mass340.85
IUPAC Name2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)c(Cl)nc1I
InChIInChI=1S/C6HCl2F3IN/c7-3-1-2(6(9,10)11)5(12)13-4(3)8/h1H
InChIKeyCVBMTRJVFYWSCW-UHFFFAOYSA-N
XLogP4.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.01
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 2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine?
The IUPAC name of 2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine (CID 102368272) is 2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)c(Cl)nc1I.
What is the InChIKey of 2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine?
The InChIKey is CVBMTRJVFYWSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl2F3IN/c7-3-1-2(6(9,10)11)5(12)13-4(3)8/h1H.
What are the key properties of 2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine?
2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine has a molecular weight of 341.89 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 102368272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).