lithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine

C45H63AlBrLiMnN8O10 — CID 158366757

IUPAClithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine
SMILESC.C.C1CCOC1.C1CCOC1.CC(=O)c1cn2ccccc2n1.CCOC(=O)C(=O)CBr.Nc1ccccn1.O=Cc1cn2ccccc2n1.O=[Mn]=O.OCc1cn2ccccc2n1.[AlH3].[H-].[Li+]
InChIInChI=1S/C9H8N2O.C8H8N2O.C8H6N2O.C5H7BrO3.C5H6N2.2C4H8O.2CH4.Al.Li.Mn.2O.4H/c1-7(12)8-6-11-5-3-2-4-9(11)10-8;2*11-6-7-5-10-4-2-1-3-8(10)9-7;1-2-9-5(8)4(7)3-6;6-5-3-1-2-4-7-5;2*1-2-4-5-3-1;;;;;;;;;;;/h2-6H,1H3;1-5,11H,6H2;1-6H;2-3H2,1H3;1-4H,(H2,6,7);2*1-4H2;2*1H4;;;;;;;;;/q;;;;;;;;;;+1;;;;;;;-1
InChIKeyZZEGUJVRNUJCGO-UHFFFAOYSA-N
MW1044.81 g/mol
LogP3.25
Rot. Bonds6

About lithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine

lithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine (PubChem CID 158366757) has the molecular formula C45H63AlBrLiMnN8O10 and a molecular weight of 1044.81 g/mol. Its IUPAC name is lithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine.

Molecular Properties

Compound Namelithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine
PubChem CID158366757
Molecular FormulaC45H63AlBrLiMnN8O10
Molecular Weight1044.81 g/mol
Exact Mass1043.32
IUPAC Namelithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine
SMILESC.C.C1CCOC1.C1CCOC1.CC(=O)c1cn2ccccc2n1.CCOC(=O)C(=O)CBr.Nc1ccccn1.O=Cc1cn2ccccc2n1.O=[Mn]=O.OCc1cn2ccccc2n1.[AlH3].[H-].[Li+]
InChIInChI=1S/C9H8N2O.C8H8N2O.C8H6N2O.C5H7BrO3.C5H6N2.2C4H8O.2CH4.Al.Li.Mn.2O.4H/c1-7(12)8-6-11-5-3-2-4-9(11)10-8;2*11-6-7-5-10-4-2-1-3-8(10)9-7;1-2-9-5(8)4(7)3-6;6-5-3-1-2-4-7-5;2*1-2-4-5-3-1;;;;;;;;;;;/h2-6H,1H3;1-5,11H,6H2;1-6H;2-3H2,1H3;1-4H,(H2,6,7);2*1-4H2;2*1H4;;;;;;;;;/q;;;;;;;;;;+1;;;;;;;-1
InChIKeyZZEGUJVRNUJCGO-UHFFFAOYSA-N
XLogP3.25
TPSA241.15 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001044.81
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine?
The IUPAC name of lithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine (CID 158366757) is lithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine.
What is the SMILES notation for lithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine?
The canonical SMILES for lithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine is C.C.C1CCOC1.C1CCOC1.CC(=O)c1cn2ccccc2n1.CCOC(=O)C(=O)CBr.Nc1ccccn1.O=Cc1cn2ccccc2n1.O=[Mn]=O.OCc1cn2ccccc2n1.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine?
The InChIKey is ZZEGUJVRNUJCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.C8H8N2O.C8H6N2O.C5H7BrO3.C5H6N2.2C4H8O.2CH4.Al.Li.Mn.2O.4H/c1-7(12)8-6-11-5-3-2-4-9(11)10-8;2*11-6-7-5-10-4-2-1-3-8(10)9-7;1-2-9-5(8)4(7)3-6;6-5-3-1-2-4-7-5;2*1-2-4-5-3-1;;;;;;;;;;;/h2-6H,1H3;1-5,11H,6H2;1-6H;2-3H2,1H3;1-4H,(H2,6,7);2*1-4H2;2*1H4;;;;;;;;;/q;;;;;;;;;;+1;;;;;;;-1.
What are the key properties of lithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine?
lithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine has a molecular weight of 1044.81 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;dioxomanganese;ethyl 3-bromo-2-oxopropanoate;hydride;imidazo[1,2-a]pyridine-2-carbaldehyde;1-imidazo[1,2-a]pyridin-2-ylethanone;imidazo[1,2-a]pyridin-2-ylmethanol;methane;oxolane;pyridin-2-amine is sourced from PubChem (CID 158366757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).