5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium

C37H58Br2I3N5O7V- — CID 158730115

IUPAC5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium
SMILESC.CC(C)(C)OC(=O)N1CCC(CC(=O)Cc2cncc(Br)c2)CC1.CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1.I[V](I)I.Nc1cncc(Br)c1.[CH3-]
InChIInChI=1S/C18H25BrN2O3.C12H21NO4.C5H5BrN2.CH4.CH3.3HI.V/c1-18(2,3)24-17(23)21-6-4-13(5-7-21)9-16(22)10-14-8-15(19)12-20-11-14;1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15;6-4-1-5(7)3-8-2-4;;;;;;/h8,11-13H,4-7,9-10H2,1-3H3;9H,4-8H2,1-3H3,(H,14,15);1-3H,7H2;1H4;1H3;3*1H;/q;;;;-1;;;;+3/p-3
InChIKeyZLOVAQJRSUWBNT-UHFFFAOYSA-K
MW1276.36 g/mol
LogP11.27
Rot. Bonds6

About 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium

5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium (PubChem CID 158730115) has the molecular formula C37H58Br2I3N5O7V- and a molecular weight of 1276.36 g/mol. Its IUPAC name is 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium.

Molecular Properties

Compound Name5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium
PubChem CID158730115
Molecular FormulaC37H58Br2I3N5O7V-
Molecular Weight1276.36 g/mol
Exact Mass1273.93
IUPAC Name5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium
SMILESC.CC(C)(C)OC(=O)N1CCC(CC(=O)Cc2cncc(Br)c2)CC1.CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1.I[V](I)I.Nc1cncc(Br)c1.[CH3-]
InChIInChI=1S/C18H25BrN2O3.C12H21NO4.C5H5BrN2.CH4.CH3.3HI.V/c1-18(2,3)24-17(23)21-6-4-13(5-7-21)9-16(22)10-14-8-15(19)12-20-11-14;1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15;6-4-1-5(7)3-8-2-4;;;;;;/h8,11-13H,4-7,9-10H2,1-3H3;9H,4-8H2,1-3H3,(H,14,15);1-3H,7H2;1H4;1H3;3*1H;/q;;;;-1;;;;+3/p-3
InChIKeyZLOVAQJRSUWBNT-UHFFFAOYSA-K
XLogP11.27
TPSA165.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001276.36
LogP ≤ 511.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium?
The IUPAC name of 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium (CID 158730115) is 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium.
What is the SMILES notation for 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium?
The canonical SMILES for 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium is C.CC(C)(C)OC(=O)N1CCC(CC(=O)Cc2cncc(Br)c2)CC1.CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1.I[V](I)I.Nc1cncc(Br)c1.[CH3-].
What is the InChIKey of 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium?
The InChIKey is ZLOVAQJRSUWBNT-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H25BrN2O3.C12H21NO4.C5H5BrN2.CH4.CH3.3HI.V/c1-18(2,3)24-17(23)21-6-4-13(5-7-21)9-16(22)10-14-8-15(19)12-20-11-14;1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15;6-4-1-5(7)3-8-2-4;;;;;;/h8,11-13H,4-7,9-10H2,1-3H3;9H,4-8H2,1-3H3,(H,14,15);1-3H,7H2;1H4;1H3;3*1H;/q;;;;-1;;;;+3/p-3.
What are the key properties of 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium?
5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium has a molecular weight of 1276.36 g/mol, XLogP of 11.27, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridin-3-amine;tert-butyl 4-[3-(5-bromo-3-pyridinyl)-2-oxopropyl]piperidine-1-carboxylate;carbanide;methane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;triiodovanadium is sourced from PubChem (CID 158730115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).