propyl 3-hydroxypyridine-2-carboxylate

C9H11NO3 — CID 60923594

IUPACpropyl 3-hydroxypyridine-2-carboxylate
SMILESCCCOC(=O)c1ncccc1O
InChIInChI=1S/C9H11NO3/c1-2-6-13-9(12)8-7(11)4-3-5-10-8/h3-5,11H,2,6H2,1H3
InChIKeySOUAYVYRWSNIPP-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.35
Rot. Bonds3

About propyl 3-hydroxypyridine-2-carboxylate

propyl 3-hydroxypyridine-2-carboxylate (PubChem CID 60923594) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is propyl 3-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Namepropyl 3-hydroxypyridine-2-carboxylate
PubChem CID60923594
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namepropyl 3-hydroxypyridine-2-carboxylate
SMILESCCCOC(=O)c1ncccc1O
InChIInChI=1S/C9H11NO3/c1-2-6-13-9(12)8-7(11)4-3-5-10-8/h3-5,11H,2,6H2,1H3
InChIKeySOUAYVYRWSNIPP-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

butyl 3-bromopyridine-2-carboxylate
CID 107519649
bromo 3-hydroxypyridine-2-carboxylate
CID 174630799
butyl 5-hydroxyisoquinoline-1-carboxylate
CID 19897480
[ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate
CID 71345151
2-ethoxyethyl 3-aminopyridine-2-carboxylate
CID 115867339
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
3-hydroxypyridine-2-carbohydrazide
CID 45083058
1-(3-hydroxy-2-pyridinyl)nonan-1-one
CID 137395419
benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
propyl 2-chloropyridine-4-carboxylate
CID 24723709

Frequently Asked Questions

What is the IUPAC name of propyl 3-hydroxypyridine-2-carboxylate?
The IUPAC name of propyl 3-hydroxypyridine-2-carboxylate (CID 60923594) is propyl 3-hydroxypyridine-2-carboxylate.
What is the SMILES notation for propyl 3-hydroxypyridine-2-carboxylate?
The canonical SMILES for propyl 3-hydroxypyridine-2-carboxylate is CCCOC(=O)c1ncccc1O.
What is the InChIKey of propyl 3-hydroxypyridine-2-carboxylate?
The InChIKey is SOUAYVYRWSNIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-6-13-9(12)8-7(11)4-3-5-10-8/h3-5,11H,2,6H2,1H3.
What are the key properties of propyl 3-hydroxypyridine-2-carboxylate?
propyl 3-hydroxypyridine-2-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 3-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 60923594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).