3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine

C9H11BrF3N — CID 135136524

IUPAC3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine
SMILESCC(C)N1C=C(C(F)(F)F)C=C(Br)C1
InChIInChI=1S/C9H11BrF3N/c1-6(2)14-4-7(9(11,12)13)3-8(10)5-14/h3-4,6H,5H2,1-2H3
InChIKeyWQPGLVNURKILCQ-UHFFFAOYSA-N
MW270.09 g/mol
LogP3.44
Rot. Bonds1

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

3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine (PubChem CID 135136524) has the molecular formula C9H11BrF3N and a molecular weight of 270.09 g/mol. Its IUPAC name is 3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine
PubChem CID135136524
Molecular FormulaC9H11BrF3N
Molecular Weight270.09 g/mol
Exact Mass269.00
IUPAC Name3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine
SMILESCC(C)N1C=C(C(F)(F)F)C=C(Br)C1
InChIInChI=1S/C9H11BrF3N/c1-6(2)14-4-7(9(11,12)13)3-8(10)5-14/h3-4,6H,5H2,1-2H3
InChIKeyWQPGLVNURKILCQ-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine (CID 135136524) is 3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine is CC(C)N1C=C(C(F)(F)F)C=C(Br)C1.
What is the InChIKey of 3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine?
The InChIKey is WQPGLVNURKILCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3N/c1-6(2)14-4-7(9(11,12)13)3-8(10)5-14/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine?
3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine has a molecular weight of 270.09 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 135136524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).