methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate

C9H11NO3 — CID 55267203

IUPACmethyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CCO)n1
InChIInChI=1S/C9H11NO3/c1-13-9(12)8-4-2-3-7(10-8)5-6-11/h2-4,11H,5-6H2,1H3
InChIKeyOMHRYJAOURORMI-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.40
Rot. Bonds3

About methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate

methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate (PubChem CID 55267203) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
PubChem CID55267203
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CCO)n1
InChIInChI=1S/C9H11NO3/c1-13-9(12)8-4-2-3-7(10-8)5-6-11/h2-4,11H,5-6H2,1H3
InChIKeyOMHRYJAOURORMI-UHFFFAOYSA-N
XLogP0.40
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
1-[6-(hydroxymethyl)-2-pyridinyl]ethanone;methyl 6-acetylpyridine-2-carboxylate
CID 161351278
methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
CID 158087164
CID 158087164
methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate
CID 106905254
methyl 6-(methylsulfanylmethylsulfanylmethyl)pyridine-2-carboxylate
CID 175489216
methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate
CID 169453691
methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate
CID 106905121
methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate
CID 170119871
methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate (CID 55267203) is methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate is COC(=O)c1cccc(CCO)n1.
What is the InChIKey of methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate?
The InChIKey is OMHRYJAOURORMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-13-9(12)8-4-2-3-7(10-8)5-6-11/h2-4,11H,5-6H2,1H3.
What are the key properties of methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate?
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate is sourced from PubChem (CID 55267203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).