propyl 5-hydroxypyridine-3-carboxylate

C9H11NO3 — CID 63851362

IUPACpropyl 5-hydroxypyridine-3-carboxylate
SMILESCCCOC(=O)c1cncc(O)c1
InChIInChI=1S/C9H11NO3/c1-2-3-13-9(12)7-4-8(11)6-10-5-7/h4-6,11H,2-3H2,1H3
InChIKeyGDOAQOHXHALGGI-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.35
Rot. Bonds3

About propyl 5-hydroxypyridine-3-carboxylate

propyl 5-hydroxypyridine-3-carboxylate (PubChem CID 63851362) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is propyl 5-hydroxypyridine-3-carboxylate.

Molecular Properties

Compound Namepropyl 5-hydroxypyridine-3-carboxylate
PubChem CID63851362
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namepropyl 5-hydroxypyridine-3-carboxylate
SMILESCCCOC(=O)c1cncc(O)c1
InChIInChI=1S/C9H11NO3/c1-2-3-13-9(12)7-4-8(11)6-10-5-7/h4-6,11H,2-3H2,1H3
InChIKeyGDOAQOHXHALGGI-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dioctyl pyridine-3,5-dicarboxylate
CID 102176297
propyl 4-hydroxybenzoate
CID 66683808
propyl 3,4,5-trihydroxybenzoate
CID 4947
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
propyl 3,5-ditert-butylbenzoate
CID 70182189
propyl 4-hydroxy-3,5-dimethylbenzoate
CID 70849133
propyl 3,4-dihydroxy-5-propoxybenzoate
CID 123862467
dipropyl 5-aminobenzene-1,3-dicarboxylate
CID 71344952
sodium;hydride;propyl 3,4,5-trihydroxybenzoate
CID 173298616
dipropyl 5-iodobenzene-1,3-dicarboxylate
CID 125479527
3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid
CID 22923898

Frequently Asked Questions

What is the IUPAC name of propyl 5-hydroxypyridine-3-carboxylate?
The IUPAC name of propyl 5-hydroxypyridine-3-carboxylate (CID 63851362) is propyl 5-hydroxypyridine-3-carboxylate.
What is the SMILES notation for propyl 5-hydroxypyridine-3-carboxylate?
The canonical SMILES for propyl 5-hydroxypyridine-3-carboxylate is CCCOC(=O)c1cncc(O)c1.
What is the InChIKey of propyl 5-hydroxypyridine-3-carboxylate?
The InChIKey is GDOAQOHXHALGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-3-13-9(12)7-4-8(11)6-10-5-7/h4-6,11H,2-3H2,1H3.
What are the key properties of propyl 5-hydroxypyridine-3-carboxylate?
propyl 5-hydroxypyridine-3-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-hydroxypyridine-3-carboxylate is sourced from PubChem (CID 63851362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).