2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine

C19H23BFNO2 — CID 102191489

IUPAC2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine
SMILESCC1(C)OB([C@@](C)(c2ccccc2)c2cccnc2F)OC1(C)C
InChIInChI=1S/C19H23BFNO2/c1-17(2)18(3,4)24-20(23-17)19(5,14-10-7-6-8-11-14)15-12-9-13-22-16(15)21/h6-13H,1-5H3/t19-/m0/s1
InChIKeyUFNFMBLAMKFUIR-IBGZPJMESA-N
MW327.21 g/mol
LogP4.16
Rot. Bonds3

About 2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine

2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine (PubChem CID 102191489) has the molecular formula C19H23BFNO2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine
PubChem CID102191489
Molecular FormulaC19H23BFNO2
Molecular Weight327.21 g/mol
Exact Mass327.18
IUPAC Name2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine
SMILESCC1(C)OB([C@@](C)(c2ccccc2)c2cccnc2F)OC1(C)C
InChIInChI=1S/C19H23BFNO2/c1-17(2)18(3,4)24-20(23-17)19(5,14-10-7-6-8-11-14)15-12-9-13-22-16(15)21/h6-13H,1-5H3/t19-/m0/s1
InChIKeyUFNFMBLAMKFUIR-IBGZPJMESA-N
XLogP4.16
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine with MolForge

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Related Compounds

4-Phenylpyridine
CID 13651
3-Phenylpyridine
CID 13886
3-Phenyl-4-propylpyridine
CID 104638
3-Benzylpyridine
CID 12112
(3-Pyridylmethylene)indane 38a
CID 6539814
3-(1-Ethyl-3,4-dihydronaphthalen-2-yl)-pyridine
CID 6540051
4-(4-Phenylbutyl)pyridine
CID 225010
Pyridine, 3-(1,1-dimethyl-2-phenylethyl)-
CID 44299138
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 2734648
2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 12067063
3-Fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 16414268
3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 17750283

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine?
The IUPAC name of 2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine (CID 102191489) is 2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine.
What is the SMILES notation for 2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine?
The canonical SMILES for 2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine is CC1(C)OB([C@@](C)(c2ccccc2)c2cccnc2F)OC1(C)C.
What is the InChIKey of 2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine?
The InChIKey is UFNFMBLAMKFUIR-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23BFNO2/c1-17(2)18(3,4)24-20(23-17)19(5,14-10-7-6-8-11-14)15-12-9-13-22-16(15)21/h6-13H,1-5H3/t19-/m0/s1.
What are the key properties of 2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine?
2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine has a molecular weight of 327.21 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine is sourced from PubChem (CID 102191489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).