6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C16H24BFN2O3 — CID 150118868

IUPAC6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2ccc(NCC3CCOC3)nc2F)OC1(C)C
InChIInChI=1S/C16H24BFN2O3/c1-15(2)16(3,4)23-17(22-15)12-5-6-13(20-14(12)18)19-9-11-7-8-21-10-11/h5-6,11H,7-10H2,1-4H3,(H,19,20)
InChIKeyDYUYJVMRMJVUIC-UHFFFAOYSA-N
MW322.19 g/mol
LogP1.97
Rot. Bonds4

About 6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 150118868) has the molecular formula C16H24BFN2O3 and a molecular weight of 322.19 g/mol. Its IUPAC name is 6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID150118868
Molecular FormulaC16H24BFN2O3
Molecular Weight322.19 g/mol
Exact Mass322.19
IUPAC Name6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2ccc(NCC3CCOC3)nc2F)OC1(C)C
InChIInChI=1S/C16H24BFN2O3/c1-15(2)16(3,4)23-17(22-15)12-5-6-13(20-14(12)18)19-9-11-7-8-21-10-11/h5-6,11H,7-10H2,1-4H3,(H,19,20)
InChIKeyDYUYJVMRMJVUIC-UHFFFAOYSA-N
XLogP1.97
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine with MolForge

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Related Compounds

6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
CID 62824708
6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine
CID 80646699
N-(oxolan-3-ylmethyl)-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 172876271
2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine
CID 62822753
5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine
CID 83265537
5-fluoro-6-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103634945
[2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol
CID 122573604
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771800
6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 166595150
2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)aniline
CID 104843497
2-N-(oxolan-3-ylmethyl)pyrazine-2,6-diamine
CID 78988857
N-(oxolan-3-ylmethyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 172876272

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 150118868) is 6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(NCC3CCOC3)nc2F)OC1(C)C.
What is the InChIKey of 6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is DYUYJVMRMJVUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BFN2O3/c1-15(2)16(3,4)23-17(22-15)12-5-6-13(20-14(12)18)19-9-11-7-8-21-10-11/h5-6,11H,7-10H2,1-4H3,(H,19,20).
What are the key properties of 6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 322.19 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(oxolan-3-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 150118868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).