2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid

C16H23BN2O5 — CID 160912215

IUPAC2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid
SMILESCOc1cccc(B(O)O)n1.OCCN(CCO)c1ccccc1
InChIInChI=1S/C10H15NO2.C6H8BNO3/c12-8-6-11(7-9-13)10-4-2-1-3-5-10;1-11-6-4-2-3-5(8-6)7(9)10/h1-5,12-13H,6-9H2;2-4,9-10H,1H3
InChIKeySQYCEQUPXXKCRU-UHFFFAOYSA-N
MW334.18 g/mol
LogP-0.75
Rot. Bonds7

About 2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid

2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid (PubChem CID 160912215) has the molecular formula C16H23BN2O5 and a molecular weight of 334.18 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid
PubChem CID160912215
Molecular FormulaC16H23BN2O5
Molecular Weight334.18 g/mol
Exact Mass334.17
IUPAC Name2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid
SMILESCOc1cccc(B(O)O)n1.OCCN(CCO)c1ccccc1
InChIInChI=1S/C10H15NO2.C6H8BNO3/c12-8-6-11(7-9-13)10-4-2-1-3-5-10;1-11-6-4-2-3-5(8-6)7(9)10/h1-5,12-13H,6-9H2;2-4,9-10H,1H3
InChIKeySQYCEQUPXXKCRU-UHFFFAOYSA-N
XLogP-0.75
TPSA106.28 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid?
The IUPAC name of 2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid (CID 160912215) is 2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid?
The canonical SMILES for 2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid is COc1cccc(B(O)O)n1.OCCN(CCO)c1ccccc1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid?
The InChIKey is SQYCEQUPXXKCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C6H8BNO3/c12-8-6-11(7-9-13)10-4-2-1-3-5-10;1-11-6-4-2-3-5(8-6)7(9)10/h1-5,12-13H,6-9H2;2-4,9-10H,1H3.
What are the key properties of 2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid?
2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid has a molecular weight of 334.18 g/mol, XLogP of -0.75, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)anilino]ethanol;(6-methoxy-2-pyridinyl)boronic acid is sourced from PubChem (CID 160912215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).