5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

C17H20BBrClF3N4O2 — CID 161194273

IUPAC5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.Nc1cc(Cl)c(Br)cn1
InChIInChI=1S/C12H16BF3N2O2.C5H4BrClN2/c1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;6-3-2-9-5(8)1-4(3)7/h5-6H,1-4H3,(H2,17,18);1-2H,(H2,8,9)
InChIKeyUUDHYBSOUWHIMX-UHFFFAOYSA-N
MW495.54 g/mol
LogP4.06
Rot. Bonds1

About 5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 161194273) has the molecular formula C17H20BBrClF3N4O2 and a molecular weight of 495.54 g/mol. Its IUPAC name is 5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID161194273
Molecular FormulaC17H20BBrClF3N4O2
Molecular Weight495.54 g/mol
Exact Mass494.05
IUPAC Name5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.Nc1cc(Cl)c(Br)cn1
InChIInChI=1S/C12H16BF3N2O2.C5H4BrClN2/c1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;6-3-2-9-5(8)1-4(3)7/h5-6H,1-4H3,(H2,17,18);1-2H,(H2,8,9)
InChIKeyUUDHYBSOUWHIMX-UHFFFAOYSA-N
XLogP4.06
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 57416499
Ethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 145100404
5-Bromo-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4-(trifluoromethyl)pyridin-2-amine
CID 158319172
5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 158445377
5-Bromo-4-(trifluoromethyl)pyridin-2-amine;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 161309921
5-Bromo-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 161426652
5-Bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;3-(trifluoromethyl)pyridin-2-amine
CID 161833786
5-Bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 160905299
4-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 57416428
5-Bromo-4-fluoropyridin-2-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157221639
5-Bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 158193031
2-Amino-5-bromopyridine-4-carbonitrile;2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158249877

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 161194273) is 5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.Nc1cc(Cl)c(Br)cn1.
What is the InChIKey of 5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UUDHYBSOUWHIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BF3N2O2.C5H4BrClN2/c1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;6-3-2-9-5(8)1-4(3)7/h5-6H,1-4H3,(H2,17,18);1-2H,(H2,8,9).
What are the key properties of 5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 495.54 g/mol, XLogP of 4.06, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 161194273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).