[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid

C9H13BN2O3 — CID 129407137

IUPAC[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid
SMILESOB(O)c1ccc(N2CC[C@H](O)C2)nc1
InChIInChI=1S/C9H13BN2O3/c13-8-3-4-12(6-8)9-2-1-7(5-11-9)10(14)15/h1-2,5,8,13-15H,3-4,6H2/t8-/m0/s1
InChIKeyKUBYNQLDKYJEHZ-QMMMGPOBSA-N
MW208.03 g/mol
LogP-1.67
Rot. Bonds2

About [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid

[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid (PubChem CID 129407137) has the molecular formula C9H13BN2O3 and a molecular weight of 208.03 g/mol. Its IUPAC name is [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid
PubChem CID129407137
Molecular FormulaC9H13BN2O3
Molecular Weight208.03 g/mol
Exact Mass208.10
IUPAC Name[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid
SMILESOB(O)c1ccc(N2CC[C@H](O)C2)nc1
InChIInChI=1S/C9H13BN2O3/c13-8-3-4-12(6-8)9-2-1-7(5-11-9)10(14)15/h1-2,5,8,13-15H,3-4,6H2/t8-/m0/s1
InChIKeyKUBYNQLDKYJEHZ-QMMMGPOBSA-N
XLogP-1.67
TPSA76.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.03
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
(3R)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416138
(3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416146
(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-ol
CID 58565962
[6-[4-[(3S)-3-methoxypyrrolidine-1-carbonyl]piperazin-1-yl]-3-pyridinyl]boronic acid
CID 140872345
5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 104696756
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
(3R)-1-(5,6-dimethylpyrazin-2-yl)pyrrolidin-3-ol
CID 104929635
1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 115886198
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649
(6-pyrazol-1-yl-3-pyridinyl)boronic acid
CID 124707516
(3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol
CID 95731179

Frequently Asked Questions

What is the IUPAC name of [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid?
The IUPAC name of [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid (CID 129407137) is [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid?
The canonical SMILES for [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid is OB(O)c1ccc(N2CC[C@H](O)C2)nc1.
What is the InChIKey of [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid?
The InChIKey is KUBYNQLDKYJEHZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13BN2O3/c13-8-3-4-12(6-8)9-2-1-7(5-11-9)10(14)15/h1-2,5,8,13-15H,3-4,6H2/t8-/m0/s1.
What are the key properties of [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid?
[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid has a molecular weight of 208.03 g/mol, XLogP of -1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid is sourced from PubChem (CID 129407137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).