2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine

C7H7BrF3N — CID 174890358

IUPAC2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine
SMILESCC1=CC(Br)(C(F)(F)F)NC=C1
InChIInChI=1S/C7H7BrF3N/c1-5-2-3-12-6(8,4-5)7(9,10)11/h2-4,12H,1H3
InChIKeyREADVSZJIKJWSW-UHFFFAOYSA-N
MW242.04 g/mol
LogP2.70
Rot. Bonds

About 2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine

2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine (PubChem CID 174890358) has the molecular formula C7H7BrF3N and a molecular weight of 242.04 g/mol. Its IUPAC name is 2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine.

Molecular Properties

Compound Name2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine
PubChem CID174890358
Molecular FormulaC7H7BrF3N
Molecular Weight242.04 g/mol
Exact Mass240.97
IUPAC Name2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine
SMILESCC1=CC(Br)(C(F)(F)F)NC=C1
InChIInChI=1S/C7H7BrF3N/c1-5-2-3-12-6(8,4-5)7(9,10)11/h2-4,12H,1H3
InChIKeyREADVSZJIKJWSW-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.04
LogP ≤ 52.70
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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Related Compounds

2-Bromopicoline
CID 68644332
2-Bromo-4-methylpicoline
CID 86637772
5-(Trifluoromethyl)-1,2-dihydropyridine
CID 19363749
2-bromo-2-(trifluoromethyl)-1H-pyridine
CID 66918749
2-bromo-3-fluoro-2-methyl-1H-pyridine
CID 68597580
2-(bromomethyl)-2-(trifluoromethyl)-1H-pyridine
CID 69953831
2-bromo-2-chloro-5-(trifluoromethyl)-1H-pyridine
CID 70457630
2-Methyl-5-(trifluoromethyl)-1,2-dihydropyridine
CID 89994792
5-Methyl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 90137192
6-Bromo-4-(trifluoromethyl)-1,2-dihydropyridine
CID 118650736
2-Methyl-4-(trifluoromethyl)-1,2-dihydropyridine
CID 129054060
2-Bromo-5-(trifluoromethyl)-1,2-dihydropyridine
CID 131970483

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine?
The IUPAC name of 2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine (CID 174890358) is 2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine.
What is the SMILES notation for 2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine?
The canonical SMILES for 2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine is CC1=CC(Br)(C(F)(F)F)NC=C1.
What is the InChIKey of 2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine?
The InChIKey is READVSZJIKJWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N/c1-5-2-3-12-6(8,4-5)7(9,10)11/h2-4,12H,1H3.
What are the key properties of 2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine?
2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine has a molecular weight of 242.04 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-2-(trifluoromethyl)-1H-pyridine is sourced from PubChem (CID 174890358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).