3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine

C7H7BrF3N — CID 141286895

IUPAC3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine
SMILESCN1C=C(C(F)(F)F)C=C(Br)C1
InChIInChI=1S/C7H7BrF3N/c1-12-3-5(7(9,10)11)2-6(8)4-12/h2-3H,4H2,1H3
InChIKeyZAHOLMUVRUONSO-UHFFFAOYSA-N
MW242.04 g/mol
LogP2.66
Rot. Bonds

About 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine

3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine (PubChem CID 141286895) has the molecular formula C7H7BrF3N and a molecular weight of 242.04 g/mol. Its IUPAC name is 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine
PubChem CID141286895
Molecular FormulaC7H7BrF3N
Molecular Weight242.04 g/mol
Exact Mass240.97
IUPAC Name3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine
SMILESCN1C=C(C(F)(F)F)C=C(Br)C1
InChIInChI=1S/C7H7BrF3N/c1-12-3-5(7(9,10)11)2-6(8)4-12/h2-3H,4H2,1H3
InChIKeyZAHOLMUVRUONSO-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.04
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine
CID 135136524
1-methyl-5-(trifluoromethyl)-2H-pyridine
CID 141417151
5-(difluoromethyl)-1-methyl-2H-pyridine
CID 141742951
2-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine
CID 152197955
5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine
CID 175748011
5-bromo-1-(difluoromethyl)-3-methyl-2H-pyridine
CID 175955975
3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridin-2-amine
CID 150081505
5-bromo-1-methyl-3-(trifluoromethyl)-2H-pyridine
CID 150726126
3-Bromo-1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine
CID 157978921
3-Bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
CID 161297792
3-bromo-1,5-dimethyl-2H-pyridine
CID 90895857

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine (CID 141286895) is 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine is CN1C=C(C(F)(F)F)C=C(Br)C1.
What is the InChIKey of 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine?
The InChIKey is ZAHOLMUVRUONSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N/c1-12-3-5(7(9,10)11)2-6(8)4-12/h2-3H,4H2,1H3.
What are the key properties of 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine?
3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine has a molecular weight of 242.04 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 141286895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).