[2-(2-fluoroethyl)-4-pyridinyl]boronic acid

C7H9BFNO2 — CID 123748229

IUPAC[2-(2-fluoroethyl)-4-pyridinyl]boronic acid
SMILESOB(O)c1ccnc(CCF)c1
InChIInChI=1S/C7H9BFNO2/c9-3-1-7-5-6(8(11)12)2-4-10-7/h2,4-5,11-12H,1,3H2
InChIKeyPZVGRWWWOVUZAC-UHFFFAOYSA-N
MW168.96 g/mol
LogP-0.73
Rot. Bonds3

About [2-(2-fluoroethyl)-4-pyridinyl]boronic acid

[2-(2-fluoroethyl)-4-pyridinyl]boronic acid (PubChem CID 123748229) has the molecular formula C7H9BFNO2 and a molecular weight of 168.96 g/mol. Its IUPAC name is [2-(2-fluoroethyl)-4-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-(2-fluoroethyl)-4-pyridinyl]boronic acid
PubChem CID123748229
Molecular FormulaC7H9BFNO2
Molecular Weight168.96 g/mol
Exact Mass169.07
IUPAC Name[2-(2-fluoroethyl)-4-pyridinyl]boronic acid
SMILESOB(O)c1ccnc(CCF)c1
InChIInChI=1S/C7H9BFNO2/c9-3-1-7-5-6(8(11)12)2-4-10-7/h2,4-5,11-12H,1,3H2
InChIKeyPZVGRWWWOVUZAC-UHFFFAOYSA-N
XLogP-0.73
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.96
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(2-fluoroethyl)-4-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

[2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid
CID 67452971
[2-(2-aminoethoxy)-4-pyridinyl]boronic acid
CID 71301500
(2-amino-4-pyridinyl)boronic acid;hydrochloride
CID 73012140
[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enyl]-4-pyridinyl]boronic acid
CID 67328274
2-(2-fluoroethyl)pyridine
CID 23246235
(2-methoxy-4-pyridinyl)boronic acid;hydrochloride
CID 71306177
(2-pyridin-4-yl-4-pyridinyl)boronic acid
CID 130053448
[2-(3-methoxypropoxy)-4-pyridinyl]boronic acid
CID 119086342
[3,4-bis(fluoromethyl)phenyl]boronic acid
CID 142699880
2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid
CID 69490346
[2-(1-carbamoyl-3,3-difluorocyclobutyl)-4-pyridinyl]boronic acid
CID 175534294
(6-fluoro-3-pyridinyl)boronic acid
CID 2783397

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroethyl)-4-pyridinyl]boronic acid?
The IUPAC name of [2-(2-fluoroethyl)-4-pyridinyl]boronic acid (CID 123748229) is [2-(2-fluoroethyl)-4-pyridinyl]boronic acid.
What is the SMILES notation for [2-(2-fluoroethyl)-4-pyridinyl]boronic acid?
The canonical SMILES for [2-(2-fluoroethyl)-4-pyridinyl]boronic acid is OB(O)c1ccnc(CCF)c1.
What is the InChIKey of [2-(2-fluoroethyl)-4-pyridinyl]boronic acid?
The InChIKey is PZVGRWWWOVUZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BFNO2/c9-3-1-7-5-6(8(11)12)2-4-10-7/h2,4-5,11-12H,1,3H2.
What are the key properties of [2-(2-fluoroethyl)-4-pyridinyl]boronic acid?
[2-(2-fluoroethyl)-4-pyridinyl]boronic acid has a molecular weight of 168.96 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroethyl)-4-pyridinyl]boronic acid is sourced from PubChem (CID 123748229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).