(6-butoxy-3-pyridinyl)boronic acid

C9H14BNO3 — CID 45116227

IUPAC(6-butoxy-3-pyridinyl)boronic acid
SMILESCCCCOc1ccc(B(O)O)cn1
InChIInChI=1S/C9H14BNO3/c1-2-3-6-14-9-5-4-8(7-11-9)10(12)13/h4-5,7,12-13H,2-3,6H2,1H3
InChIKeyHSYJYFISWIDAQX-UHFFFAOYSA-N
MW195.03 g/mol
LogP-0.06
Rot. Bonds5

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

(6-butoxy-3-pyridinyl)boronic acid (PubChem CID 45116227) has the molecular formula C9H14BNO3 and a molecular weight of 195.03 g/mol. Its IUPAC name is (6-butoxy-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-butoxy-3-pyridinyl)boronic acid
PubChem CID45116227
Molecular FormulaC9H14BNO3
Molecular Weight195.03 g/mol
Exact Mass195.11
IUPAC Name(6-butoxy-3-pyridinyl)boronic acid
SMILESCCCCOc1ccc(B(O)O)cn1
InChIInChI=1S/C9H14BNO3/c1-2-3-6-14-9-5-4-8(7-11-9)10(12)13/h4-5,7,12-13H,2-3,6H2,1H3
InChIKeyHSYJYFISWIDAQX-UHFFFAOYSA-N
XLogP-0.06
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.03
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyriproxyfen
CID 91753
2-Methoxypyridine
CID 74201
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
5-Amino-2-butoxypyridine
CID 68314
2-Ethoxypyridine
CID 84499
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
2-(Benzyloxy)pyridine
CID 295859
(6-Methoxypyridin-3-yl)boronic acid
CID 2734368
(2-Methoxypyridin-3-yl)boronic acid
CID 2762709
2-Methoxy-5-(trifluoromethyl)pyridine
CID 2775312

Frequently Asked Questions

What is the IUPAC name of (6-butoxy-3-pyridinyl)boronic acid?
The IUPAC name of (6-butoxy-3-pyridinyl)boronic acid (CID 45116227) is (6-butoxy-3-pyridinyl)boronic acid.
What is the SMILES notation for (6-butoxy-3-pyridinyl)boronic acid?
The canonical SMILES for (6-butoxy-3-pyridinyl)boronic acid is CCCCOc1ccc(B(O)O)cn1.
What is the InChIKey of (6-butoxy-3-pyridinyl)boronic acid?
The InChIKey is HSYJYFISWIDAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BNO3/c1-2-3-6-14-9-5-4-8(7-11-9)10(12)13/h4-5,7,12-13H,2-3,6H2,1H3.
What are the key properties of (6-butoxy-3-pyridinyl)boronic acid?
(6-butoxy-3-pyridinyl)boronic acid has a molecular weight of 195.03 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-butoxy-3-pyridinyl)boronic acid is sourced from PubChem (CID 45116227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).