sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide

C17H23N2NaO8 — CID 159405801

IUPACsodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide
SMILESCCOC(=O)c1cccc(CO)n1.CO.O=C(O)c1cccc(CO)n1.[Na+].[OH-]
InChIInChI=1S/C9H11NO3.C7H7NO3.CH4O.Na.H2O/c1-2-13-9(12)8-5-3-4-7(6-11)10-8;9-4-5-2-1-3-6(8-5)7(10)11;1-2;;/h3-5,11H,2,6H2,1H3;1-3,9H,4H2,(H,10,11);2H,1H3;;1H2/q;;;+1;/p-1
InChIKeyLNXYAQBVYWNCKU-UHFFFAOYSA-M
MW406.37 g/mol
LogP-2.54
Rot. Bonds5

About sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide

sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide (PubChem CID 159405801) has the molecular formula C17H23N2NaO8 and a molecular weight of 406.37 g/mol. Its IUPAC name is sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide.

Molecular Properties

Compound Namesodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide
PubChem CID159405801
Molecular FormulaC17H23N2NaO8
Molecular Weight406.37 g/mol
Exact Mass406.14
IUPAC Namesodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide
SMILESCCOC(=O)c1cccc(CO)n1.CO.O=C(O)c1cccc(CO)n1.[Na+].[OH-]
InChIInChI=1S/C9H11NO3.C7H7NO3.CH4O.Na.H2O/c1-2-13-9(12)8-5-3-4-7(6-11)10-8;9-4-5-2-1-3-6(8-5)7(10)11;1-2;;/h3-5,11H,2,6H2,1H3;1-3,9H,4H2,(H,10,11);2H,1H3;;1H2/q;;;+1;/p-1
InChIKeyLNXYAQBVYWNCKU-UHFFFAOYSA-M
XLogP-2.54
TPSA180.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 5-2.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide with MolForge

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Related Compounds

(6-bromo-2-pyridinyl)methanol;ethyl 6-bromopyridine-2-carboxylate
CID 162039254
6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
CID 146675255
lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol
CID 158673964
6-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903489
ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869074
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
1-[6-(hydroxymethyl)-2-pyridinyl]ethanone;methyl 6-acetylpyridine-2-carboxylate
CID 161351278
2-ethoxycarbonylquinoline-8-carboxylic acid
CID 141289138
CID 158087164
CID 158087164
6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide
CID 59410646
ethyl pyridine-2-carboxylate
CID 17307
ethyl formate;6-methylpyridine-2-carboxylic acid
CID 143716127

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide?
The IUPAC name of sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide (CID 159405801) is sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide.
What is the SMILES notation for sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide?
The canonical SMILES for sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide is CCOC(=O)c1cccc(CO)n1.CO.O=C(O)c1cccc(CO)n1.[Na+].[OH-].
What is the InChIKey of sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide?
The InChIKey is LNXYAQBVYWNCKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO3.C7H7NO3.CH4O.Na.H2O/c1-2-13-9(12)8-5-3-4-7(6-11)10-8;9-4-5-2-1-3-6(8-5)7(10)11;1-2;;/h3-5,11H,2,6H2,1H3;1-3,9H,4H2,(H,10,11);2H,1H3;;1H2/q;;;+1;/p-1.
What are the key properties of sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide?
sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide has a molecular weight of 406.37 g/mol, XLogP of -2.54, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide is sourced from PubChem (CID 159405801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).