[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid

C9H13BN2O2 — CID 124671778

IUPAC[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid
SMILESOB(O)c1cncc([C@@H]2CCCN2)c1
InChIInChI=1S/C9H13BN2O2/c13-10(14)8-4-7(5-11-6-8)9-2-1-3-12-9/h4-6,9,12-14H,1-3H2/t9-/m0/s1
InChIKeyYGKKWWWIOOMLQM-VIFPVBQESA-N
MW192.03 g/mol
LogP-0.81
Rot. Bonds2

About [5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid

[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid (PubChem CID 124671778) has the molecular formula C9H13BN2O2 and a molecular weight of 192.03 g/mol. Its IUPAC name is [5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid
PubChem CID124671778
Molecular FormulaC9H13BN2O2
Molecular Weight192.03 g/mol
Exact Mass192.11
IUPAC Name[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid
SMILESOB(O)c1cncc([C@@H]2CCCN2)c1
InChIInChI=1S/C9H13BN2O2/c13-10(14)8-4-7(5-11-6-8)9-2-1-3-12-9/h4-6,9,12-14H,1-3H2/t9-/m0/s1
InChIKeyYGKKWWWIOOMLQM-VIFPVBQESA-N
XLogP-0.81
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.03
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55276544
3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487206
3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 154733314
3-methyl-5-[(2R)-piperidin-2-yl]pyridine
CID 96741558
3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine
CID 163261196
5-pyrrolidin-2-ylpyridine-3-carbaldehyde
CID 123459636
3-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 130624742
3-bromo-5-piperidin-2-ylpyridine;dihydrochloride
CID 122198515
methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate
CID 131276889
3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]prop-2-ynoic acid
CID 131871135
3-pyrrolidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 76847918
3-[(2S)-piperidin-2-yl]-5-(trifluoromethyl)pyridine
CID 131397807

Frequently Asked Questions

What is the IUPAC name of [5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid?
The IUPAC name of [5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid (CID 124671778) is [5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid.
What is the SMILES notation for [5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid?
The canonical SMILES for [5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid is OB(O)c1cncc([C@@H]2CCCN2)c1.
What is the InChIKey of [5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid?
The InChIKey is YGKKWWWIOOMLQM-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13BN2O2/c13-10(14)8-4-7(5-11-6-8)9-2-1-3-12-9/h4-6,9,12-14H,1-3H2/t9-/m0/s1.
What are the key properties of [5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid?
[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid has a molecular weight of 192.03 g/mol, XLogP of -0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid is sourced from PubChem (CID 124671778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).