5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium

C27H49BBr2I7N4O2V2-2 — CID 165028333

IUPAC5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium
SMILESCB1OC(C)(C)C(C)(C)O1.CC.CC(C)I.Cc1cc(Br)cnc1N.I[V](I)I.I[V]I.Nc1ncc(Br)cc1I.[CH2-]C.[CH2-]C
InChIInChI=1S/C7H15BO2.C6H7BrN2.C5H4BrIN2.C3H7I.C2H6.2C2H5.5HI.2V/c1-6(2)7(3,4)10-8(5)9-6;1-4-2-5(7)3-9-6(4)8;6-3-1-4(7)5(8)9-2-3;1-3(2)4;3*1-2;;;;;;;/h1-5H3;2-3H,1H3,(H2,8,9);1-2H,(H2,8,9);3H,1-2H3;1-2H3;2*1H2,2H3;5*1H;;/q;;;;;2*-1;;;;;;+2;+3/p-5
InChIKeyFEKRFCAORNBMOE-UHFFFAOYSA-I
MW1622.55 g/mol
LogP14.43
Rot. Bonds

About 5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium

5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium (PubChem CID 165028333) has the molecular formula C27H49BBr2I7N4O2V2-2 and a molecular weight of 1622.55 g/mol. Its IUPAC name is 5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium.

Molecular Properties

Compound Name5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium
PubChem CID165028333
Molecular FormulaC27H49BBr2I7N4O2V2-2
Molecular Weight1622.55 g/mol
Exact Mass1620.45
IUPAC Name5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium
SMILESCB1OC(C)(C)C(C)(C)O1.CC.CC(C)I.Cc1cc(Br)cnc1N.I[V](I)I.I[V]I.Nc1ncc(Br)cc1I.[CH2-]C.[CH2-]C
InChIInChI=1S/C7H15BO2.C6H7BrN2.C5H4BrIN2.C3H7I.C2H6.2C2H5.5HI.2V/c1-6(2)7(3,4)10-8(5)9-6;1-4-2-5(7)3-9-6(4)8;6-3-1-4(7)5(8)9-2-3;1-3(2)4;3*1-2;;;;;;;/h1-5H3;2-3H,1H3,(H2,8,9);1-2H,(H2,8,9);3H,1-2H3;1-2H3;2*1H2,2H3;5*1H;;/q;;;;;2*-1;;;;;;+2;+3/p-5
InChIKeyFEKRFCAORNBMOE-UHFFFAOYSA-I
XLogP14.43
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001622.55
LogP ≤ 514.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-4-(trifluoromethyl)pyridin-2-amine;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 161309921
5-Bromo-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 161426652
5-Bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;3-(trifluoromethyl)pyridin-2-amine
CID 161833786
3,5-Dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 139244986
5-Bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 160905299
5-Bromo-3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
CID 171109945
3-bromo-5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-N,N-dimethylpyridin-2-amine
CID 171110216
2-Amino-3-bromo-pyridine-5-boronic acid pinacol ester
CID 72218919
5-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 86700076
5-Bromo-2-isocyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 140512018
5-Bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157914055
(E)-4-(6-amino-3-pyridinyl)but-3-en-2-one;5-bromopyridin-2-amine;but-3-en-2-one;triiodovanadium;vanadium;hydroiodide
CID 158232627

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium?
The IUPAC name of 5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium (CID 165028333) is 5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium.
What is the SMILES notation for 5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium?
The canonical SMILES for 5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium is CB1OC(C)(C)C(C)(C)O1.CC.CC(C)I.Cc1cc(Br)cnc1N.I[V](I)I.I[V]I.Nc1ncc(Br)cc1I.[CH2-]C.[CH2-]C.
What is the InChIKey of 5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium?
The InChIKey is FEKRFCAORNBMOE-UHFFFAOYSA-I. The full InChI is InChI=1S/C7H15BO2.C6H7BrN2.C5H4BrIN2.C3H7I.C2H6.2C2H5.5HI.2V/c1-6(2)7(3,4)10-8(5)9-6;1-4-2-5(7)3-9-6(4)8;6-3-1-4(7)5(8)9-2-3;1-3(2)4;3*1-2;;;;;;;/h1-5H3;2-3H,1H3,(H2,8,9);1-2H,(H2,8,9);3H,1-2H3;1-2H3;2*1H2,2H3;5*1H;;/q;;;;;2*-1;;;;;;+2;+3/p-5.
What are the key properties of 5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium?
5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium has a molecular weight of 1622.55 g/mol, XLogP of 14.43, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-iodopyridin-2-amine;5-bromo-3-methylpyridin-2-amine;diiodovanadium;ethane;ethane;2-iodopropane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;triiodovanadium is sourced from PubChem (CID 165028333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).