5-bromo-2-(10,10,10-trifluorodecyl)pyridine

C15H21BrF3N — CID 151052015

IUPAC5-bromo-2-(10,10,10-trifluorodecyl)pyridine
SMILESFC(F)(F)CCCCCCCCCc1ccc(Br)cn1
InChIInChI=1S/C15H21BrF3N/c16-13-9-10-14(20-12-13)8-6-4-2-1-3-5-7-11-15(17,18)19/h9-10,12H,1-8,11H2
InChIKeyMEICFKZQHZYZHJ-UHFFFAOYSA-N
MW352.24 g/mol
LogP6.07
Rot. Bonds9

About 5-bromo-2-(10,10,10-trifluorodecyl)pyridine

5-bromo-2-(10,10,10-trifluorodecyl)pyridine (PubChem CID 151052015) has the molecular formula C15H21BrF3N and a molecular weight of 352.24 g/mol. Its IUPAC name is 5-bromo-2-(10,10,10-trifluorodecyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(10,10,10-trifluorodecyl)pyridine
PubChem CID151052015
Molecular FormulaC15H21BrF3N
Molecular Weight352.24 g/mol
Exact Mass351.08
IUPAC Name5-bromo-2-(10,10,10-trifluorodecyl)pyridine
SMILESFC(F)(F)CCCCCCCCCc1ccc(Br)cn1
InChIInChI=1S/C15H21BrF3N/c16-13-9-10-14(20-12-13)8-6-4-2-1-3-5-7-11-15(17,18)19/h9-10,12H,1-8,11H2
InChIKeyMEICFKZQHZYZHJ-UHFFFAOYSA-N
XLogP6.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.24
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(4-cyclopropylbutyl)pyridine
CID 71137385
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4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine
CID 104811937
N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 115622453
1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
CID 104803305
5-bromo-2-(3-phenylpropyl)pyridine
CID 22127052
1-(5-bromo-2-pyridinyl)-4,4,4-trifluorobutan-2-one
CID 104798738
5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
CID 58234518
3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 104810396
5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226685
5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine
CID 115486549
(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(10,10,10-trifluorodecyl)pyridine?
The IUPAC name of 5-bromo-2-(10,10,10-trifluorodecyl)pyridine (CID 151052015) is 5-bromo-2-(10,10,10-trifluorodecyl)pyridine.
What is the SMILES notation for 5-bromo-2-(10,10,10-trifluorodecyl)pyridine?
The canonical SMILES for 5-bromo-2-(10,10,10-trifluorodecyl)pyridine is FC(F)(F)CCCCCCCCCc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(10,10,10-trifluorodecyl)pyridine?
The InChIKey is MEICFKZQHZYZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF3N/c16-13-9-10-14(20-12-13)8-6-4-2-1-3-5-7-11-15(17,18)19/h9-10,12H,1-8,11H2.
What are the key properties of 5-bromo-2-(10,10,10-trifluorodecyl)pyridine?
5-bromo-2-(10,10,10-trifluorodecyl)pyridine has a molecular weight of 352.24 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(10,10,10-trifluorodecyl)pyridine is sourced from PubChem (CID 151052015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).