4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine

C11H16BNO3 — CID 170600987

IUPAC4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine
SMILESCCc1ccnc(OC2CCB(O)OC2)c1
InChIInChI=1S/C11H16BNO3/c1-2-9-4-6-13-11(7-9)16-10-3-5-12(14)15-8-10/h4,6-7,10,14H,2-3,5,8H2,1H3
InChIKeyDYULBBKNSYJIBJ-UHFFFAOYSA-N
MW221.06 g/mol
LogP1.29
Rot. Bonds3

About 4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine

4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine (PubChem CID 170600987) has the molecular formula C11H16BNO3 and a molecular weight of 221.06 g/mol. Its IUPAC name is 4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine.

Molecular Properties

Compound Name4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine
PubChem CID170600987
Molecular FormulaC11H16BNO3
Molecular Weight221.06 g/mol
Exact Mass221.12
IUPAC Name4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine
SMILESCCc1ccnc(OC2CCB(O)OC2)c1
InChIInChI=1S/C11H16BNO3/c1-2-9-4-6-13-11(7-9)16-10-3-5-12(14)15-8-10/h4,6-7,10,14H,2-3,5,8H2,1H3
InChIKeyDYULBBKNSYJIBJ-UHFFFAOYSA-N
XLogP1.29
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.06
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-cyclobutyloxy-4-ethylpyridine
CID 118553785
4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyrimidine
CID 170601004
N-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine
CID 146526583
3-[(4-ethyl-2-pyridinyl)oxy]-N-propan-2-ylcyclobutan-1-amine
CID 135175004
4-(chloromethyl)-2-cyclopentyloxypyridine
CID 61257863
N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 63558300
2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 55212360
N-[[2-(4,4-dimethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 114342312
1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine
CID 111049934
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine
CID 111049940
2-cyclopentyloxy-4-methylpyridine
CID 18779821
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822564

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine?
The IUPAC name of 4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine (CID 170600987) is 4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine.
What is the SMILES notation for 4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine?
The canonical SMILES for 4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine is CCc1ccnc(OC2CCB(O)OC2)c1.
What is the InChIKey of 4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine?
The InChIKey is DYULBBKNSYJIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BNO3/c1-2-9-4-6-13-11(7-9)16-10-3-5-12(14)15-8-10/h4,6-7,10,14H,2-3,5,8H2,1H3.
What are the key properties of 4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine?
4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine has a molecular weight of 221.06 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine is sourced from PubChem (CID 170600987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).