2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine

C6H4BrClF3N — CID 70457630

IUPAC2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine
SMILESFC(F)(F)C1=CNC(Cl)(Br)C=C1
InChIInChI=1S/C6H4BrClF3N/c7-5(8)2-1-4(3-12-5)6(9,10)11/h1-3,12H
InChIKeyFMLLMYCWEXPSPW-UHFFFAOYSA-N
MW262.46 g/mol
LogP2.88
Rot. Bonds

About 2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine

2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine (PubChem CID 70457630) has the molecular formula C6H4BrClF3N and a molecular weight of 262.46 g/mol. Its IUPAC name is 2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine.

Molecular Properties

Compound Name2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine
PubChem CID70457630
Molecular FormulaC6H4BrClF3N
Molecular Weight262.46 g/mol
Exact Mass260.92
IUPAC Name2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine
SMILESFC(F)(F)C1=CNC(Cl)(Br)C=C1
InChIInChI=1S/C6H4BrClF3N/c7-5(8)2-1-4(3-12-5)6(9,10)11/h1-3,12H
InChIKeyFMLLMYCWEXPSPW-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.46
LogP ≤ 52.88
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-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine?
The IUPAC name of 2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine (CID 70457630) is 2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine.
What is the SMILES notation for 2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine?
The canonical SMILES for 2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine is FC(F)(F)C1=CNC(Cl)(Br)C=C1.
What is the InChIKey of 2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine?
The InChIKey is FMLLMYCWEXPSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClF3N/c7-5(8)2-1-4(3-12-5)6(9,10)11/h1-3,12H.
What are the key properties of 2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine?
2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine has a molecular weight of 262.46 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine is sourced from PubChem (CID 70457630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).