(2-pyrrolidin-2-yl-3-pyridinyl)boronic acid

C9H13BN2O2 — CID 121234044

IUPAC(2-pyrrolidin-2-yl-3-pyridinyl)boronic acid
SMILESOB(O)c1cccnc1C1CCCN1
InChIInChI=1S/C9H13BN2O2/c13-10(14)7-3-1-6-12-9(7)8-4-2-5-11-8/h1,3,6,8,11,13-14H,2,4-5H2
InChIKeyMBYBHQABUPJEDA-UHFFFAOYSA-N
MW192.03 g/mol
LogP-0.81
Rot. Bonds2

About (2-pyrrolidin-2-yl-3-pyridinyl)boronic acid

(2-pyrrolidin-2-yl-3-pyridinyl)boronic acid (PubChem CID 121234044) has the molecular formula C9H13BN2O2 and a molecular weight of 192.03 g/mol. Its IUPAC name is (2-pyrrolidin-2-yl-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2-pyrrolidin-2-yl-3-pyridinyl)boronic acid
PubChem CID121234044
Molecular FormulaC9H13BN2O2
Molecular Weight192.03 g/mol
Exact Mass192.11
IUPAC Name(2-pyrrolidin-2-yl-3-pyridinyl)boronic acid
SMILESOB(O)c1cccnc1C1CCCN1
InChIInChI=1S/C9H13BN2O2/c13-10(14)7-3-1-6-12-9(7)8-4-2-5-11-8/h1,3,6,8,11,13-14H,2,4-5H2
InChIKeyMBYBHQABUPJEDA-UHFFFAOYSA-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

2-(3-methyl-2-pyridinyl)azepane
CID 81148387
3-phenyl-2-pyrrolidin-2-ylpyridine
CID 115008660
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole
CID 166960926
2-chloro-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55278492
2-[1-(2-pyrrolidin-2-yl-3-pyridinyl)pyrrolidin-2-yl]pyrazine
CID 173151036
N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 95836667
2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid
CID 55275995
2-fluoro-3-[(2S)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171196297
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-piperazin-2-yl-3-pyridinyl)borinic acid
CID 121004884
8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride
CID 154574794
5-[(2R)-pyrrolidin-2-yl]quinoline
CID 66518640

Frequently Asked Questions

What is the IUPAC name of (2-pyrrolidin-2-yl-3-pyridinyl)boronic acid?
The IUPAC name of (2-pyrrolidin-2-yl-3-pyridinyl)boronic acid (CID 121234044) is (2-pyrrolidin-2-yl-3-pyridinyl)boronic acid.
What is the SMILES notation for (2-pyrrolidin-2-yl-3-pyridinyl)boronic acid?
The canonical SMILES for (2-pyrrolidin-2-yl-3-pyridinyl)boronic acid is OB(O)c1cccnc1C1CCCN1.
What is the InChIKey of (2-pyrrolidin-2-yl-3-pyridinyl)boronic acid?
The InChIKey is MBYBHQABUPJEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BN2O2/c13-10(14)7-3-1-6-12-9(7)8-4-2-5-11-8/h1,3,6,8,11,13-14H,2,4-5H2.
What are the key properties of (2-pyrrolidin-2-yl-3-pyridinyl)boronic acid?
(2-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 (2-pyrrolidin-2-yl-3-pyridinyl)boronic acid is sourced from PubChem (CID 121234044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).