(6-propoxy-3-pyridinyl)boronic acid

C8H12BNO3 — CID 46739386

IUPAC(6-propoxy-3-pyridinyl)boronic acid
SMILESCCCOc1ccc(B(O)O)cn1
InChIInChI=1S/C8H12BNO3/c1-2-5-13-8-4-3-7(6-10-8)9(11)12/h3-4,6,11-12H,2,5H2,1H3
InChIKeyCJLTUVAWEWYGJU-UHFFFAOYSA-N
MW181.00 g/mol
LogP-0.45
Rot. Bonds4

About (6-propoxy-3-pyridinyl)boronic acid

(6-propoxy-3-pyridinyl)boronic acid (PubChem CID 46739386) has the molecular formula C8H12BNO3 and a molecular weight of 181.00 g/mol. Its IUPAC name is (6-propoxy-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-propoxy-3-pyridinyl)boronic acid
PubChem CID46739386
Molecular FormulaC8H12BNO3
Molecular Weight181.00 g/mol
Exact Mass181.09
IUPAC Name(6-propoxy-3-pyridinyl)boronic acid
SMILESCCCOc1ccc(B(O)O)cn1
InChIInChI=1S/C8H12BNO3/c1-2-5-13-8-4-3-7(6-10-8)9(11)12/h3-4,6,11-12H,2,5H2,1H3
InChIKeyCJLTUVAWEWYGJU-UHFFFAOYSA-N
XLogP-0.45
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.00
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyriproxyfen
CID 91753
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
5-Amino-2-butoxypyridine
CID 68314
2,6-Bis(2-(dimethylamino)ethoxy)pyridine
CID 96392
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
Allyl 2-pyridyl ether
CID 79906
Allyl 2-pyridyl ether
CID 79906
2-(Benzyloxy)pyridine
CID 295859
(6-Methoxypyridin-3-yl)boronic acid
CID 2734368
(6-Methoxypyridin-3-yl)boronic acid
CID 2734368
Butyl 2-pyridyl ether
CID 95701

Frequently Asked Questions

What is the IUPAC name of (6-propoxy-3-pyridinyl)boronic acid?
The IUPAC name of (6-propoxy-3-pyridinyl)boronic acid (CID 46739386) is (6-propoxy-3-pyridinyl)boronic acid.
What is the SMILES notation for (6-propoxy-3-pyridinyl)boronic acid?
The canonical SMILES for (6-propoxy-3-pyridinyl)boronic acid is CCCOc1ccc(B(O)O)cn1.
What is the InChIKey of (6-propoxy-3-pyridinyl)boronic acid?
The InChIKey is CJLTUVAWEWYGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BNO3/c1-2-5-13-8-4-3-7(6-10-8)9(11)12/h3-4,6,11-12H,2,5H2,1H3.
What are the key properties of (6-propoxy-3-pyridinyl)boronic acid?
(6-propoxy-3-pyridinyl)boronic acid has a molecular weight of 181.00 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propoxy-3-pyridinyl)boronic acid is sourced from PubChem (CID 46739386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).