zinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide

C24H23Br3N6O2Zn — CID 158871993

IUPACzinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide
SMILESBrc1cncc(Br)c1.CC(C)(O)c1cncc(Br)c1.[C-]#N.[C-]#N.[C-]#[N+]c1cncc(C(C)(C)O)c1.[Zn+2]
InChIInChI=1S/C9H10N2O.C8H10BrNO.C5H3Br2N.2CN.Zn/c1-9(2,12)7-4-8(10-3)6-11-5-7;1-8(2,11)6-3-7(9)5-10-4-6;6-4-1-5(7)3-8-2-4;2*1-2;/h4-6,12H,1-2H3;3-5,11H,1-2H3;1-3H;;;/q;;;2*-1;+2
InChIKeyIAHFQLXLNKMGDK-UHFFFAOYSA-N
MW732.59 g/mol
LogP6.73
Rot. Bonds2

About zinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide

zinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide (PubChem CID 158871993) has the molecular formula C24H23Br3N6O2Zn and a molecular weight of 732.59 g/mol. Its IUPAC name is zinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide.

Molecular Properties

Compound Namezinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide
PubChem CID158871993
Molecular FormulaC24H23Br3N6O2Zn
Molecular Weight732.59 g/mol
Exact Mass727.87
IUPAC Namezinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide
SMILESBrc1cncc(Br)c1.CC(C)(O)c1cncc(Br)c1.[C-]#N.[C-]#N.[C-]#[N+]c1cncc(C(C)(C)O)c1.[Zn+2]
InChIInChI=1S/C9H10N2O.C8H10BrNO.C5H3Br2N.2CN.Zn/c1-9(2,12)7-4-8(10-3)6-11-5-7;1-8(2,11)6-3-7(9)5-10-4-6;6-4-1-5(7)3-8-2-4;2*1-2;/h4-6,12H,1-2H3;3-5,11H,1-2H3;1-3H;;;/q;;;2*-1;+2
InChIKeyIAHFQLXLNKMGDK-UHFFFAOYSA-N
XLogP6.73
TPSA131.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.59
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze zinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide with MolForge

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Related Compounds

2-(5''-Bromo-[2,2';4',3'']terpyridin-6'-yl)-propan-2-ol
CID 68735197
2-(5-Bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine
CID 158087677
Bis(3-bromo-5-(2-methoxypropan-2-yl)pyridine);2-(5-bromo-3-pyridinyl)propan-2-ol;3-isocyano-5-(2-methoxypropan-2-yl)pyridine;methane;oxolane
CID 159122934
(5-Bromo-3-pyridinyl)methanol;(5-isocyano-3-pyridinyl)methanol
CID 159154253
2-(5-Bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;propan-2-one
CID 160535879
Magnesium;3-bromopyridine;ethene;3-ethenylpyridine;1-pyridin-3-ylethane-1,2-diol;bromide
CID 161588359
2-(6-Bromo-3-pyridinyl)propan-2-ol;2,5-dibromopyridine
CID 161833250
2-[3-Amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol
CID 165027198

Frequently Asked Questions

What is the IUPAC name of zinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide?
The IUPAC name of zinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide (CID 158871993) is zinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide.
What is the SMILES notation for zinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide?
The canonical SMILES for zinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide is Brc1cncc(Br)c1.CC(C)(O)c1cncc(Br)c1.[C-]#N.[C-]#N.[C-]#[N+]c1cncc(C(C)(C)O)c1.[Zn+2].
What is the InChIKey of zinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide?
The InChIKey is IAHFQLXLNKMGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C8H10BrNO.C5H3Br2N.2CN.Zn/c1-9(2,12)7-4-8(10-3)6-11-5-7;1-8(2,11)6-3-7(9)5-10-4-6;6-4-1-5(7)3-8-2-4;2*1-2;/h4-6,12H,1-2H3;3-5,11H,1-2H3;1-3H;;;/q;;;2*-1;+2.
What are the key properties of zinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide?
zinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide has a molecular weight of 732.59 g/mol, XLogP of 6.73, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine;2-(5-isocyano-3-pyridinyl)propan-2-ol;dicyanide is sourced from PubChem (CID 158871993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).