lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol

C16H24AlLiN2O3 — CID 158673964

IUPAClithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol
SMILESCCOC(=O)c1cccc(C)n1.Cc1cccc(CO)n1.[AlH3].[H-].[Li+]
InChIInChI=1S/C9H11NO2.C7H9NO.Al.Li.4H/c1-3-12-9(11)8-6-4-5-7(2)10-8;1-6-3-2-4-7(5-9)8-6;;;;;;/h4-6H,3H2,1-2H3;2-4,9H,5H2,1H3;;;;;;/q;;;+1;;;;-1
InChIKeyMDADXOHZKOYKDJ-UHFFFAOYSA-N
MW326.30 g/mol
LogP-1.62
Rot. Bonds3

About lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol

lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol (PubChem CID 158673964) has the molecular formula C16H24AlLiN2O3 and a molecular weight of 326.30 g/mol. Its IUPAC name is lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol.

Molecular Properties

Compound Namelithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol
PubChem CID158673964
Molecular FormulaC16H24AlLiN2O3
Molecular Weight326.30 g/mol
Exact Mass326.18
IUPAC Namelithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol
SMILESCCOC(=O)c1cccc(C)n1.Cc1cccc(CO)n1.[AlH3].[H-].[Li+]
InChIInChI=1S/C9H11NO2.C7H9NO.Al.Li.4H/c1-3-12-9(11)8-6-4-5-7(2)10-8;1-6-3-2-4-7(5-9)8-6;;;;;;/h4-6H,3H2,1-2H3;2-4,9H,5H2,1H3;;;;;;/q;;;+1;;;;-1
InChIKeyMDADXOHZKOYKDJ-UHFFFAOYSA-N
XLogP-1.62
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-bromo-2-pyridinyl)methanol;ethyl 6-bromopyridine-2-carboxylate
CID 162039254
sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide
CID 159405801
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
(6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate
CID 67488057
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568795
ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869074
ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate
CID 155937838
ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate
CID 79267932
1-[6-(hydroxymethyl)-2-pyridinyl]ethanone;methyl 6-acetylpyridine-2-carboxylate
CID 161351278
ethyl 6-(6-bromo-2-pyridinyl)pyridine-2-carboxylate
CID 10892158

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol?
The IUPAC name of lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol (CID 158673964) is lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol.
What is the SMILES notation for lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol?
The canonical SMILES for lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol is CCOC(=O)c1cccc(C)n1.Cc1cccc(CO)n1.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol?
The InChIKey is MDADXOHZKOYKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C7H9NO.Al.Li.4H/c1-3-12-9(11)8-6-4-5-7(2)10-8;1-6-3-2-4-7(5-9)8-6;;;;;;/h4-6H,3H2,1-2H3;2-4,9H,5H2,1H3;;;;;;/q;;;+1;;;;-1.
What are the key properties of lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol?
lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol has a molecular weight of 326.30 g/mol, XLogP of -1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol is sourced from PubChem (CID 158673964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).