5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium

C24H38Br2ClI4N3O2V- — CID 159559590

IUPAC5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium
SMILESCC.CC(C)C(=O)Cc1cncc(Br)c1.CC(C)C(=O)Cl.CCI.I[V](I)I.Nc1cncc(Br)c1.[CH3-]
InChIInChI=1S/C10H12BrNO.C5H5BrN2.C4H7ClO.C2H5I.C2H6.CH3.3HI.V/c1-7(2)10(13)4-8-3-9(11)6-12-5-8;6-4-1-5(7)3-8-2-4;1-3(2)4(5)6;1-2-3;1-2;;;;;/h3,5-7H,4H2,1-2H3;1-3H,7H2;3H,1-2H3;2H2,1H3;1-2H3;1H3;3*1H;/q;;;;;-1;;;;+3/p-3
InChIKeySFRGFOLUFZLWGU-UHFFFAOYSA-K
MW1154.41 g/mol
LogP11.02
Rot. Bonds4

About 5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium

5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium (PubChem CID 159559590) has the molecular formula C24H38Br2ClI4N3O2V- and a molecular weight of 1154.41 g/mol. Its IUPAC name is 5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium.

Molecular Properties

Compound Name5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium
PubChem CID159559590
Molecular FormulaC24H38Br2ClI4N3O2V-
Molecular Weight1154.41 g/mol
Exact Mass1151.66
IUPAC Name5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium
SMILESCC.CC(C)C(=O)Cc1cncc(Br)c1.CC(C)C(=O)Cl.CCI.I[V](I)I.Nc1cncc(Br)c1.[CH3-]
InChIInChI=1S/C10H12BrNO.C5H5BrN2.C4H7ClO.C2H5I.C2H6.CH3.3HI.V/c1-7(2)10(13)4-8-3-9(11)6-12-5-8;6-4-1-5(7)3-8-2-4;1-3(2)4(5)6;1-2-3;1-2;;;;;/h3,5-7H,4H2,1-2H3;1-3H,7H2;3H,1-2H3;2H2,1H3;1-2H3;1H3;3*1H;/q;;;;;-1;;;;+3/p-3
InChIKeySFRGFOLUFZLWGU-UHFFFAOYSA-K
XLogP11.02
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001154.41
LogP ≤ 511.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane
CID 160553854
3-amino-1-(5-bromo-3-pyridinyl)heptan-2-one
CID 116556893
1-(5-bromo-3-pyridinyl)-3-hydroxy-4-methylpentan-2-one
CID 103455295
3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;1-iodopropane;methanol;propan-2-one;vanadium
CID 158813640
1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116597271
1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one
CID 116707295
3-amino-1-(5-bromo-3-pyridinyl)hex-5-en-2-one
CID 116607112
4-amino-1-(5-bromo-3-pyridinyl)-5-methylhexan-2-one
CID 116606465
5-bromopyridin-3-amine;formamide
CID 175312718
1-(5-bromo-3-pyridinyl)-3-propan-2-ylsulfanylpropan-2-one
CID 104798958
5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1-(1-methylpiperidin-4-yl)ethanone;4-methylpiperazine-1-carboxylic acid
CID 159862381
2-[(5-bromo-3-pyridinyl)methylsulfonyl]propanoic acid
CID 104797411

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium?
The IUPAC name of 5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium (CID 159559590) is 5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium.
What is the SMILES notation for 5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium?
The canonical SMILES for 5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium is CC.CC(C)C(=O)Cc1cncc(Br)c1.CC(C)C(=O)Cl.CCI.I[V](I)I.Nc1cncc(Br)c1.[CH3-].
What is the InChIKey of 5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium?
The InChIKey is SFRGFOLUFZLWGU-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H12BrNO.C5H5BrN2.C4H7ClO.C2H5I.C2H6.CH3.3HI.V/c1-7(2)10(13)4-8-3-9(11)6-12-5-8;6-4-1-5(7)3-8-2-4;1-3(2)4(5)6;1-2-3;1-2;;;;;/h3,5-7H,4H2,1-2H3;1-3H,7H2;3H,1-2H3;2H2,1H3;1-2H3;1H3;3*1H;/q;;;;;-1;;;;+3/p-3.
What are the key properties of 5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium?
5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium has a molecular weight of 1154.41 g/mol, XLogP of 11.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium is sourced from PubChem (CID 159559590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).