5-bromo-3-(trifluoromethyl)-1-(3,3,3-trifluoropropyl)-2H-pyridine

C9H8BrF6N — CID 174946332

IUPAC5-bromo-3-(trifluoromethyl)-1-(3,3,3-trifluoropropyl)-2H-pyridine
SMILESFC(F)(F)CCN1C=C(Br)C=C(C(F)(F)F)C1
InChIInChI=1S/C9H8BrF6N/c10-7-3-6(9(14,15)16)4-17(5-7)2-1-8(11,12)13/h3,5H,1-2,4H2
InChIKeyHLQPTIQAOVMZDA-UHFFFAOYSA-N
MW324.06 g/mol
LogP3.98
Rot. Bonds2

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

5-bromo-3-(trifluoromethyl)-1-(3,3,3-trifluoropropyl)-2H-pyridine (PubChem CID 174946332) has the molecular formula C9H8BrF6N and a molecular weight of 324.06 g/mol. Its IUPAC name is 5-bromo-3-(trifluoromethyl)-1-(3,3,3-trifluoropropyl)-2H-pyridine.

Molecular Properties

Compound Name5-bromo-3-(trifluoromethyl)-1-(3,3,3-trifluoropropyl)-2H-pyridine
PubChem CID174946332
Molecular FormulaC9H8BrF6N
Molecular Weight324.06 g/mol
Exact Mass322.97
IUPAC Name5-bromo-3-(trifluoromethyl)-1-(3,3,3-trifluoropropyl)-2H-pyridine
SMILESFC(F)(F)CCN1C=C(Br)C=C(C(F)(F)F)C1
InChIInChI=1S/C9H8BrF6N/c10-7-3-6(9(14,15)16)4-17(5-7)2-1-8(11,12)13/h3,5H,1-2,4H2
InChIKeyHLQPTIQAOVMZDA-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.06
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(trifluoromethyl)-1-(3,3,3-trifluoropropyl)-2H-pyridine?
The IUPAC name of 5-bromo-3-(trifluoromethyl)-1-(3,3,3-trifluoropropyl)-2H-pyridine (CID 174946332) is 5-bromo-3-(trifluoromethyl)-1-(3,3,3-trifluoropropyl)-2H-pyridine.
What is the SMILES notation for 5-bromo-3-(trifluoromethyl)-1-(3,3,3-trifluoropropyl)-2H-pyridine?
The canonical SMILES for 5-bromo-3-(trifluoromethyl)-1-(3,3,3-trifluoropropyl)-2H-pyridine is FC(F)(F)CCN1C=C(Br)C=C(C(F)(F)F)C1.
What is the InChIKey of 5-bromo-3-(trifluoromethyl)-1-(3,3,3-trifluoropropyl)-2H-pyridine?
The InChIKey is HLQPTIQAOVMZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF6N/c10-7-3-6(9(14,15)16)4-17(5-7)2-1-8(11,12)13/h3,5H,1-2,4H2.
What are the key properties of 5-bromo-3-(trifluoromethyl)-1-(3,3,3-trifluoropropyl)-2H-pyridine?
5-bromo-3-(trifluoromethyl)-1-(3,3,3-trifluoropropyl)-2H-pyridine has a molecular weight of 324.06 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(trifluoromethyl)-1-(3,3,3-trifluoropropyl)-2H-pyridine is sourced from PubChem (CID 174946332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).