2,5-dichloro-2-(trifluoromethyl)-1H-pyridine

C6H4Cl2F3N — CID 151273190

IUPAC2,5-dichloro-2-(trifluoromethyl)-1H-pyridine
SMILESFC(F)(F)C1(Cl)C=CC(Cl)=CN1
InChIInChI=1S/C6H4Cl2F3N/c7-4-1-2-5(8,12-3-4)6(9,10)11/h1-3,12H
InChIKeyNWUNAUSIZFPIPX-UHFFFAOYSA-N
MW218.01 g/mol
LogP2.72
Rot. Bonds

About 2,5-dichloro-2-(trifluoromethyl)-1H-pyridine

2,5-dichloro-2-(trifluoromethyl)-1H-pyridine (PubChem CID 151273190) has the molecular formula C6H4Cl2F3N and a molecular weight of 218.01 g/mol. Its IUPAC name is 2,5-dichloro-2-(trifluoromethyl)-1H-pyridine.

Molecular Properties

Compound Name2,5-dichloro-2-(trifluoromethyl)-1H-pyridine
PubChem CID151273190
Molecular FormulaC6H4Cl2F3N
Molecular Weight218.01 g/mol
Exact Mass216.97
IUPAC Name2,5-dichloro-2-(trifluoromethyl)-1H-pyridine
SMILESFC(F)(F)C1(Cl)C=CC(Cl)=CN1
InChIInChI=1S/C6H4Cl2F3N/c7-4-1-2-5(8,12-3-4)6(9,10)11/h1-3,12H
InChIKeyNWUNAUSIZFPIPX-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.01
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-2-(trifluoromethyl)-1H-pyridine?
The IUPAC name of 2,5-dichloro-2-(trifluoromethyl)-1H-pyridine (CID 151273190) is 2,5-dichloro-2-(trifluoromethyl)-1H-pyridine.
What is the SMILES notation for 2,5-dichloro-2-(trifluoromethyl)-1H-pyridine?
The canonical SMILES for 2,5-dichloro-2-(trifluoromethyl)-1H-pyridine is FC(F)(F)C1(Cl)C=CC(Cl)=CN1.
What is the InChIKey of 2,5-dichloro-2-(trifluoromethyl)-1H-pyridine?
The InChIKey is NWUNAUSIZFPIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F3N/c7-4-1-2-5(8,12-3-4)6(9,10)11/h1-3,12H.
What are the key properties of 2,5-dichloro-2-(trifluoromethyl)-1H-pyridine?
2,5-dichloro-2-(trifluoromethyl)-1H-pyridine has a molecular weight of 218.01 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-2-(trifluoromethyl)-1H-pyridine is sourced from PubChem (CID 151273190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).