3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C12H17BF2N2O2 — CID 90286472

IUPAC3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2cnc(N)c(C(F)F)c2)OC1(C)C
InChIInChI=1S/C12H17BF2N2O2/c1-11(2)12(3,4)19-13(18-11)7-5-8(9(14)15)10(16)17-6-7/h5-6,9H,1-4H3,(H2,16,17)
InChIKeyIWDBISSLPPERDC-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.90
Rot. Bonds2

About 3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 90286472) has the molecular formula C12H17BF2N2O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID90286472
Molecular FormulaC12H17BF2N2O2
Molecular Weight270.09 g/mol
Exact Mass270.14
IUPAC Name3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2cnc(N)c(C(F)F)c2)OC1(C)C
InChIInChI=1S/C12H17BF2N2O2/c1-11(2)12(3,4)19-13(18-11)7-5-8(9(14)15)10(16)17-6-7/h5-6,9H,1-4H3,(H2,16,17)
InChIKeyIWDBISSLPPERDC-UHFFFAOYSA-N
XLogP1.90
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of 3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 90286472) is 3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2cnc(N)c(C(F)F)c2)OC1(C)C.
What is the InChIKey of 3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is IWDBISSLPPERDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BF2N2O2/c1-11(2)12(3,4)19-13(18-11)7-5-8(9(14)15)10(16)17-6-7/h5-6,9H,1-4H3,(H2,16,17).
What are the key properties of 3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 270.09 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 90286472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).