methyl 5-(2-hydroxyethyl)pyridine-3-carboxylate

C9H11NO3 — CID 55266237

IUPACmethyl 5-(2-hydroxyethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(CCO)c1
InChIInChI=1S/C9H11NO3/c1-13-9(12)8-4-7(2-3-11)5-10-6-8/h4-6,11H,2-3H2,1H3
InChIKeySYIXYTGJJSBWIC-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.40
Rot. Bonds3

About methyl 5-(2-hydroxyethyl)pyridine-3-carboxylate

methyl 5-(2-hydroxyethyl)pyridine-3-carboxylate (PubChem CID 55266237) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 5-(2-hydroxyethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-hydroxyethyl)pyridine-3-carboxylate
PubChem CID55266237
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 5-(2-hydroxyethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(CCO)c1
InChIInChI=1S/C9H11NO3/c1-13-9(12)8-4-7(2-3-11)5-10-6-8/h4-6,11H,2-3H2,1H3
InChIKeySYIXYTGJJSBWIC-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 5-ethylpyridine-3-carboxylate
CID 5323747
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 5-[2-[5-amino-2-cyano-4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate
CID 155670832
ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657
methyl 5-methylsulfinylpyridine-3-carboxylate
CID 142057010
methyl 5-methylsulfonylpyridine-3-carboxylate
CID 23436925
methyl 5-[(Z)-C-chloro-N-hydroxycarbonimidoyl]pyridine-3-carboxylate
CID 135258489
methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate
CID 66684512
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
5-(2-bromoethyl)pyridine-3-carboxylic acid
CID 174535680
methyl 5-propa-1,2-dienylpyridine-3-carboxylate
CID 134856022
methyl 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]pyridine-3-carboxylate
CID 148788780

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-hydroxyethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(2-hydroxyethyl)pyridine-3-carboxylate (CID 55266237) is methyl 5-(2-hydroxyethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(2-hydroxyethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(2-hydroxyethyl)pyridine-3-carboxylate is COC(=O)c1cncc(CCO)c1.
What is the InChIKey of methyl 5-(2-hydroxyethyl)pyridine-3-carboxylate?
The InChIKey is SYIXYTGJJSBWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-13-9(12)8-4-7(2-3-11)5-10-6-8/h4-6,11H,2-3H2,1H3.
What are the key properties of methyl 5-(2-hydroxyethyl)pyridine-3-carboxylate?
methyl 5-(2-hydroxyethyl)pyridine-3-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 5-(2-hydroxyethyl)pyridine-3-carboxylate is sourced from PubChem (CID 55266237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).