[3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid

C10H14BFN2O — CID 140930139

IUPAC[3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid
SMILESCB(O)N1CCC(c2ccc(F)cn2)C1
InChIInChI=1S/C10H14BFN2O/c1-11(15)14-5-4-8(7-14)10-3-2-9(12)6-13-10/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyQSHLAKHVTVOJLN-UHFFFAOYSA-N
MW208.05 g/mol
LogP1.12
Rot. Bonds2

About [3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid

[3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid (PubChem CID 140930139) has the molecular formula C10H14BFN2O and a molecular weight of 208.05 g/mol. Its IUPAC name is [3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid.

Molecular Properties

Compound Name[3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid
PubChem CID140930139
Molecular FormulaC10H14BFN2O
Molecular Weight208.05 g/mol
Exact Mass208.12
IUPAC Name[3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid
SMILESCB(O)N1CCC(c2ccc(F)cn2)C1
InChIInChI=1S/C10H14BFN2O/c1-11(15)14-5-4-8(7-14)10-3-2-9(12)6-13-10/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyQSHLAKHVTVOJLN-UHFFFAOYSA-N
XLogP1.12
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid?
The IUPAC name of [3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid (CID 140930139) is [3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid.
What is the SMILES notation for [3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid?
The canonical SMILES for [3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid is CB(O)N1CCC(c2ccc(F)cn2)C1.
What is the InChIKey of [3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid?
The InChIKey is QSHLAKHVTVOJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BFN2O/c1-11(15)14-5-4-8(7-14)10-3-2-9(12)6-13-10/h2-3,6,8,15H,4-5,7H2,1H3.
What are the key properties of [3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid?
[3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid has a molecular weight of 208.05 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]-methylborinic acid is sourced from PubChem (CID 140930139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).