lithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene

C24H17BrF15LiN2 — CID 159766258

IUPAClithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene
SMILESBrc1ccccn1.FC1=C(F)C(F)(F)C(F)(F)C1(F)F.FC1=C(c2ccccn2)C(F)(F)C(F)(F)C1(F)F.[CH2-]CCC.[Li+]
InChIInChI=1S/C10H4F7N.C5H4BrN.C5F8.C4H9.Li/c11-7-6(5-3-1-2-4-18-5)8(12,13)10(16,17)9(7,14)15;6-5-3-1-2-4-7-5;6-1-2(7)4(10,11)5(12,13)3(1,8)9;1-3-4-2;/h1-4H;1-4H;;1,3-4H2,2H3;/q;;;-1;+1
InChIKeyFWVPYATYZHMQMF-UHFFFAOYSA-N
MW705.23 g/mol
LogP7.21
Rot. Bonds2

About lithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene

lithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene (PubChem CID 159766258) has the molecular formula C24H17BrF15LiN2 and a molecular weight of 705.23 g/mol. Its IUPAC name is lithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene.

Molecular Properties

Compound Namelithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene
PubChem CID159766258
Molecular FormulaC24H17BrF15LiN2
Molecular Weight705.23 g/mol
Exact Mass704.05
IUPAC Namelithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene
SMILESBrc1ccccn1.FC1=C(F)C(F)(F)C(F)(F)C1(F)F.FC1=C(c2ccccn2)C(F)(F)C(F)(F)C1(F)F.[CH2-]CCC.[Li+]
InChIInChI=1S/C10H4F7N.C5H4BrN.C5F8.C4H9.Li/c11-7-6(5-3-1-2-4-18-5)8(12,13)10(16,17)9(7,14)15;6-5-3-1-2-4-7-5;6-1-2(7)4(10,11)5(12,13)3(1,8)9;1-3-4-2;/h1-4H;1-4H;;1,3-4H2,2H3;/q;;;-1;+1
InChIKeyFWVPYATYZHMQMF-UHFFFAOYSA-N
XLogP7.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.23
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze lithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene with MolForge

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Related Compounds

2-[2-(5-Bromopyridin-3-yl)ethynyl]-5-methylpyridine
CID 16067787
2-Bromo-6-(pyridin-2-yl)pyridine
CID 11791152
5-Bromo-2,2'-bipyridine
CID 10889870
5,5'-Dibromo-2,2'-bipyridine
CID 10903103
4-Bromo-2,2'-bipyridyl
CID 12087122
5-Bromo-2,3'-bipyridine
CID 11390677
6-Bromo-2,3'-bipyridine
CID 13546454
4,4'-Dibromo-2,2'-bipyridine
CID 15569987
5-Bromo-2-(heptafluoropropyl)pyridine
CID 124249205
2-Bromo-1-[6-(2-bromopyridin-1-ium-1-yl)hexyl]pyridin-1-ium
CID 53315469
6,6'-Dibromo-2,3'-bipyridine
CID 42552980
6-Bromo-4,4'-dimethyl-2,2'-bipyridyl
CID 53438778

Frequently Asked Questions

What is the IUPAC name of lithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene?
The IUPAC name of lithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene (CID 159766258) is lithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene.
What is the SMILES notation for lithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene?
The canonical SMILES for lithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene is Brc1ccccn1.FC1=C(F)C(F)(F)C(F)(F)C1(F)F.FC1=C(c2ccccn2)C(F)(F)C(F)(F)C1(F)F.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene?
The InChIKey is FWVPYATYZHMQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F7N.C5H4BrN.C5F8.C4H9.Li/c11-7-6(5-3-1-2-4-18-5)8(12,13)10(16,17)9(7,14)15;6-5-3-1-2-4-7-5;6-1-2(7)4(10,11)5(12,13)3(1,8)9;1-3-4-2;/h1-4H;1-4H;;1,3-4H2,2H3;/q;;;-1;+1.
What are the key properties of lithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene?
lithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene has a molecular weight of 705.23 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-bromopyridine;butane;2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)pyridine;1,2,3,3,4,4,5,5-octafluorocyclopentene is sourced from PubChem (CID 159766258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).