[2-(2-propoxyethylamino)-3-pyridinyl]boronic acid

C10H17BN2O3 — CID 174019564

IUPAC[2-(2-propoxyethylamino)-3-pyridinyl]boronic acid
SMILESCCCOCCNc1ncccc1B(O)O
InChIInChI=1S/C10H17BN2O3/c1-2-7-16-8-6-13-10-9(11(14)15)4-3-5-12-10/h3-5,14-15H,2,6-8H2,1H3,(H,12,13)
InChIKeyNZEXFJAYFCOKHR-UHFFFAOYSA-N
MW224.07 g/mol
LogP-0.40
Rot. Bonds7

About [2-(2-propoxyethylamino)-3-pyridinyl]boronic acid

[2-(2-propoxyethylamino)-3-pyridinyl]boronic acid (PubChem CID 174019564) has the molecular formula C10H17BN2O3 and a molecular weight of 224.07 g/mol. Its IUPAC name is [2-(2-propoxyethylamino)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-(2-propoxyethylamino)-3-pyridinyl]boronic acid
PubChem CID174019564
Molecular FormulaC10H17BN2O3
Molecular Weight224.07 g/mol
Exact Mass224.13
IUPAC Name[2-(2-propoxyethylamino)-3-pyridinyl]boronic acid
SMILESCCCOCCNc1ncccc1B(O)O
InChIInChI=1S/C10H17BN2O3/c1-2-7-16-8-6-13-10-9(11(14)15)4-3-5-12-10/h3-5,14-15H,2,6-8H2,1H3,(H,12,13)
InChIKeyNZEXFJAYFCOKHR-UHFFFAOYSA-N
XLogP-0.40
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.07
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

[2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid
CID 164518005
2-(2-butoxyethylamino)pyridine-3-carbonitrile
CID 61175093
2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941891
N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
CID 82946727
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813
[2-(3-butoxypropylamino)-3-pyridinyl]methanol
CID 82341843
2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid
CID 63651997
(2-butoxy-3-pyridinyl)boronic acid
CID 56776625
3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
CID 115684649
4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid
CID 82947512
2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307052
(2-octoxy-3-pyridinyl)boronic acid
CID 57324718

Frequently Asked Questions

What is the IUPAC name of [2-(2-propoxyethylamino)-3-pyridinyl]boronic acid?
The IUPAC name of [2-(2-propoxyethylamino)-3-pyridinyl]boronic acid (CID 174019564) is [2-(2-propoxyethylamino)-3-pyridinyl]boronic acid.
What is the SMILES notation for [2-(2-propoxyethylamino)-3-pyridinyl]boronic acid?
The canonical SMILES for [2-(2-propoxyethylamino)-3-pyridinyl]boronic acid is CCCOCCNc1ncccc1B(O)O.
What is the InChIKey of [2-(2-propoxyethylamino)-3-pyridinyl]boronic acid?
The InChIKey is NZEXFJAYFCOKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN2O3/c1-2-7-16-8-6-13-10-9(11(14)15)4-3-5-12-10/h3-5,14-15H,2,6-8H2,1H3,(H,12,13).
What are the key properties of [2-(2-propoxyethylamino)-3-pyridinyl]boronic acid?
[2-(2-propoxyethylamino)-3-pyridinyl]boronic acid has a molecular weight of 224.07 g/mol, XLogP of -0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propoxyethylamino)-3-pyridinyl]boronic acid is sourced from PubChem (CID 174019564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).