4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol

C13H17BFNO3 — CID 57416696

IUPAC4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol
SMILESCC1(C)OB(/C=C/c2nccc(F)c2O)OC1(C)C
InChIInChI=1S/C13H17BFNO3/c1-12(2)13(3,4)19-14(18-12)7-5-10-11(17)9(15)6-8-16-10/h5-8,17H,1-4H3/b7-5+
InChIKeyIKYZRGFBLKTGMQ-FNORWQNLSA-N
MW265.09 g/mol
LogP2.57
Rot. Bonds2

About 4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol

4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol (PubChem CID 57416696) has the molecular formula C13H17BFNO3 and a molecular weight of 265.09 g/mol. Its IUPAC name is 4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol.

Molecular Properties

Compound Name4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol
PubChem CID57416696
Molecular FormulaC13H17BFNO3
Molecular Weight265.09 g/mol
Exact Mass265.13
IUPAC Name4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol
SMILESCC1(C)OB(/C=C/c2nccc(F)c2O)OC1(C)C
InChIInChI=1S/C13H17BFNO3/c1-12(2)13(3,4)19-14(18-12)7-5-10-11(17)9(15)6-8-16-10/h5-8,17H,1-4H3/b7-5+
InChIKeyIKYZRGFBLKTGMQ-FNORWQNLSA-N
XLogP2.57
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol with MolForge

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Related Compounds

4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74890742
2-chloro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol
CID 74788982
3-methyl-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-4-carboxylic acid
CID 74888437
3-chloro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74788945
4-nitro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-amine
CID 74789362
3-(chloromethyl)-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74789398
2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 57416557
3-ethyl-2-fluoro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74889199
3-nitro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74789389
2-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-4-amine
CID 57416568
4-bromo-2-fluoro-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenol
CID 175521175
2-[4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]propan-2-ol
CID 74788552

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol?
The IUPAC name of 4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol (CID 57416696) is 4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol.
What is the SMILES notation for 4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol?
The canonical SMILES for 4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol is CC1(C)OB(/C=C/c2nccc(F)c2O)OC1(C)C.
What is the InChIKey of 4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol?
The InChIKey is IKYZRGFBLKTGMQ-FNORWQNLSA-N. The full InChI is InChI=1S/C13H17BFNO3/c1-12(2)13(3,4)19-14(18-12)7-5-10-11(17)9(15)6-8-16-10/h5-8,17H,1-4H3/b7-5+.
What are the key properties of 4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol?
4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol has a molecular weight of 265.09 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol is sourced from PubChem (CID 57416696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).