propyl 3-propoxypyridine-2-carboxylate

C12H17NO3 — CID 19756120

IUPACpropyl 3-propoxypyridine-2-carboxylate
SMILESCCCOC(=O)c1ncccc1OCCC
InChIInChI=1S/C12H17NO3/c1-3-8-15-10-6-5-7-13-11(10)12(14)16-9-4-2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyZGUCGLNLZXLQTD-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.44
Rot. Bonds6

About propyl 3-propoxypyridine-2-carboxylate

propyl 3-propoxypyridine-2-carboxylate (PubChem CID 19756120) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is propyl 3-propoxypyridine-2-carboxylate.

Molecular Properties

Compound Namepropyl 3-propoxypyridine-2-carboxylate
PubChem CID19756120
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namepropyl 3-propoxypyridine-2-carboxylate
SMILESCCCOC(=O)c1ncccc1OCCC
InChIInChI=1S/C12H17NO3/c1-3-8-15-10-6-5-7-13-11(10)12(14)16-9-4-2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyZGUCGLNLZXLQTD-UHFFFAOYSA-N
XLogP2.44
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 3-propoxypyridine-2-carboxylate?
The IUPAC name of propyl 3-propoxypyridine-2-carboxylate (CID 19756120) is propyl 3-propoxypyridine-2-carboxylate.
What is the SMILES notation for propyl 3-propoxypyridine-2-carboxylate?
The canonical SMILES for propyl 3-propoxypyridine-2-carboxylate is CCCOC(=O)c1ncccc1OCCC.
What is the InChIKey of propyl 3-propoxypyridine-2-carboxylate?
The InChIKey is ZGUCGLNLZXLQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-8-15-10-6-5-7-13-11(10)12(14)16-9-4-2/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of propyl 3-propoxypyridine-2-carboxylate?
propyl 3-propoxypyridine-2-carboxylate has a molecular weight of 223.27 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-propoxypyridine-2-carboxylate is sourced from PubChem (CID 19756120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).