(2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane

C24H30BN3O5 — CID 57219365

IUPAC(2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane
SMILESCCCOc1ncccc1OB(Oc1cccnc1OCCC)c1cccnc1OCCC
InChIInChI=1S/C24H30BN3O5/c1-4-16-29-22-19(10-7-13-26-22)25(32-20-11-8-14-27-23(20)30-17-5-2)33-21-12-9-15-28-24(21)31-18-6-3/h7-15H,4-6,16-18H2,1-3H3
InChIKeyLWNBNXDTAUMRGC-UHFFFAOYSA-N
MW451.33 g/mol
LogP4.09
Rot. Bonds14

About (2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane

(2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane (PubChem CID 57219365) has the molecular formula C24H30BN3O5 and a molecular weight of 451.33 g/mol. Its IUPAC name is (2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane.

Molecular Properties

Compound Name(2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane
PubChem CID57219365
Molecular FormulaC24H30BN3O5
Molecular Weight451.33 g/mol
Exact Mass451.23
IUPAC Name(2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane
SMILESCCCOc1ncccc1OB(Oc1cccnc1OCCC)c1cccnc1OCCC
InChIInChI=1S/C24H30BN3O5/c1-4-16-29-22-19(10-7-13-26-22)25(32-20-11-8-14-27-23(20)30-17-5-2)33-21-12-9-15-28-24(21)31-18-6-3/h7-15H,4-6,16-18H2,1-3H3
InChIKeyLWNBNXDTAUMRGC-UHFFFAOYSA-N
XLogP4.09
TPSA84.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2-butoxy-3-pyridinyl)boronic acid
CID 56776625
2,3-didecoxypyridine
CID 151922374
(2-octoxy-3-pyridinyl)boronic acid
CID 57324718
3-iodo-2-propoxypyridine
CID 42553132
(2-methoxy-3-pyridinyl)-(2-propoxyphenyl)methanol
CID 105125991
(2-propoxyphenyl)boronic acid
CID 4219796
3-propoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796587
potassium 2-propoxyphenolate
CID 23686802
4-[(3-methoxy-2-pyridinyl)oxy]butan-1-ol
CID 57264913
2,3-bis(4-bromobutoxy)pyridine
CID 139649131
2-pentoxypyridine-3-carbaldehyde
CID 11622489
2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine
CID 113370726

Frequently Asked Questions

What is the IUPAC name of (2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane?
The IUPAC name of (2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane (CID 57219365) is (2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane.
What is the SMILES notation for (2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane?
The canonical SMILES for (2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane is CCCOc1ncccc1OB(Oc1cccnc1OCCC)c1cccnc1OCCC.
What is the InChIKey of (2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane?
The InChIKey is LWNBNXDTAUMRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BN3O5/c1-4-16-29-22-19(10-7-13-26-22)25(32-20-11-8-14-27-23(20)30-17-5-2)33-21-12-9-15-28-24(21)31-18-6-3/h7-15H,4-6,16-18H2,1-3H3.
What are the key properties of (2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane?
(2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane has a molecular weight of 451.33 g/mol, XLogP of 4.09, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane is sourced from PubChem (CID 57219365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).