5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine

C7H7BrF3N — CID 144789906

IUPAC5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC1=CC(C(F)(F)F)NC=C1Br
InChIInChI=1S/C7H7BrF3N/c1-4-2-6(7(9,10)11)12-3-5(4)8/h2-3,6,12H,1H3
InChIKeyCWJKQYAUKBAOKR-UHFFFAOYSA-N
MW242.04 g/mol
LogP2.70
Rot. Bonds

About 5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine

5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 144789906) has the molecular formula C7H7BrF3N and a molecular weight of 242.04 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID144789906
Molecular FormulaC7H7BrF3N
Molecular Weight242.04 g/mol
Exact Mass240.97
IUPAC Name5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC1=CC(C(F)(F)F)NC=C1Br
InChIInChI=1S/C7H7BrF3N/c1-4-2-6(7(9,10)11)12-3-5(4)8/h2-3,6,12H,1H3
InChIKeyCWJKQYAUKBAOKR-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine (CID 144789906) is 5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine is CC1=CC(C(F)(F)F)NC=C1Br.
What is the InChIKey of 5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is CWJKQYAUKBAOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N/c1-4-2-6(7(9,10)11)12-3-5(4)8/h2-3,6,12H,1H3.
What are the key properties of 5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine?
5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine 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 5-bromo-4-methyl-2-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 144789906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).