(2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate

C15H15NO4 — CID 11414636

IUPAC(2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate
SMILESO=C(OCC(O)COc1ccccc1)c1cccnc1
InChIInChI=1S/C15H15NO4/c17-13(10-19-14-6-2-1-3-7-14)11-20-15(18)12-5-4-8-16-9-12/h1-9,13,17H,10-11H2
InChIKeyKKMJLTBWWCSMPG-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.68
Rot. Bonds6

About (2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate

(2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate (PubChem CID 11414636) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate
PubChem CID11414636
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate
SMILESO=C(OCC(O)COc1ccccc1)c1cccnc1
InChIInChI=1S/C15H15NO4/c17-13(10-19-14-6-2-1-3-7-14)11-20-15(18)12-5-4-8-16-9-12/h1-9,13,17H,10-11H2
InChIKeyKKMJLTBWWCSMPG-UHFFFAOYSA-N
XLogP1.68
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate
CID 59866995
(2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate
CID 23569597
(2-hydroxy-3-phenoxypropyl) 3,5-dibromo-4-hydroxybenzoate
CID 59017835
(2-hydroxy-3-phenoxypropyl) 4-tert-butylbenzoate
CID 122466220
N-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide
CID 151890676
N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
CID 47311353
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate
CID 59252455
(2-hydroxy-3-phenoxypropyl) methylphosphanylformate
CID 59790512
ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate
CID 42926568
(4-phenylphenyl)methyl pyridine-3-carboxylate
CID 9414004

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate?
The IUPAC name of (2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate (CID 11414636) is (2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate.
What is the SMILES notation for (2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate?
The canonical SMILES for (2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate is O=C(OCC(O)COc1ccccc1)c1cccnc1.
What is the InChIKey of (2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate?
The InChIKey is KKMJLTBWWCSMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-13(10-19-14-6-2-1-3-7-14)11-20-15(18)12-5-4-8-16-9-12/h1-9,13,17H,10-11H2.
What are the key properties of (2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate?
(2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate is sourced from PubChem (CID 11414636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).