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

C17H25B2ClFNO4 — CID 74789447

IUPAC2-chloro-6-fluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)nc2F)OC1(C)C
InChIInChI=1S/C17H25B2ClFNO4/c1-14(2)15(3,4)24-18(23-14)10-9-11(13(21)22-12(10)20)19-25-16(5,6)17(7,8)26-19/h9H,1-8H3
InChIKeyUWSVQIUTFHCODD-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.47
Rot. Bonds2

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

2-chloro-6-fluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 74789447) has the molecular formula C17H25B2ClFNO4 and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-6-fluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID74789447
Molecular FormulaC17H25B2ClFNO4
Molecular Weight383.47 g/mol
Exact Mass383.16
IUPAC Name2-chloro-6-fluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)nc2F)OC1(C)C
InChIInChI=1S/C17H25B2ClFNO4/c1-14(2)15(3,4)24-18(23-14)10-9-11(13(21)22-12(10)20)19-25-16(5,6)17(7,8)26-19/h9H,1-8H3
InChIKeyUWSVQIUTFHCODD-UHFFFAOYSA-N
XLogP2.47
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-chloro-6-fluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 74789447) is 2-chloro-6-fluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-chloro-6-fluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-chloro-6-fluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)nc2F)OC1(C)C.
What is the InChIKey of 2-chloro-6-fluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is UWSVQIUTFHCODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25B2ClFNO4/c1-14(2)15(3,4)24-18(23-14)10-9-11(13(21)22-12(10)20)19-25-16(5,6)17(7,8)26-19/h9H,1-8H3.
What are the key properties of 2-chloro-6-fluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-chloro-6-fluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 383.47 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 74789447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).