4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C17H25BFNO2 — CID 172645548

IUPAC4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cc(C3CCCCC3)cc(F)n2)OC1(C)C
InChIInChI=1S/C17H25BFNO2/c1-16(2)17(3,4)22-18(21-16)14-10-13(11-15(19)20-14)12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3
InChIKeyVTIPYLKBNHKPBZ-UHFFFAOYSA-N
MW305.20 g/mol
LogP3.57
Rot. Bonds2

About 4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 172645548) has the molecular formula C17H25BFNO2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID172645548
Molecular FormulaC17H25BFNO2
Molecular Weight305.20 g/mol
Exact Mass305.20
IUPAC Name4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cc(C3CCCCC3)cc(F)n2)OC1(C)C
InChIInChI=1S/C17H25BFNO2/c1-16(2)17(3,4)22-18(21-16)14-10-13(11-15(19)20-14)12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3
InChIKeyVTIPYLKBNHKPBZ-UHFFFAOYSA-N
XLogP3.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 53.57
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'}

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Related Compounds

2-(3-cyclohexyl-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140885765
1-cyclobutyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
CID 172644196
3-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine
CID 172644739
4-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine
CID 172643950
1,3,5-tricyclopentylbenzene
CID 611596
2-(4-cyclohexyl-3-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 150932451
6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 162342484
2-cyclopentyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
CID 58449522
1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine
CID 172644243
N-[[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine
CID 53217306
1-cyclohexyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 145195941
6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 166595150

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 172645548) is 4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2cc(C3CCCCC3)cc(F)n2)OC1(C)C.
What is the InChIKey of 4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is VTIPYLKBNHKPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BFNO2/c1-16(2)17(3,4)22-18(21-16)14-10-13(11-15(19)20-14)12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 305.20 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 172645548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).