5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C30H38BBr3N8O2 — CID 167609902

IUPAC5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCN(C)c1ccc(-c2ncc(Br)cc2N)cn1.CN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1cc(Br)cnc1Br
InChIInChI=1S/C13H21BN2O2.C12H13BrN4.C5H4Br2N2/c1-12(2)13(3,4)18-14(17-12)10-7-8-11(15-9-10)16(5)6;1-17(2)11-4-3-8(6-15-11)12-10(14)5-9(13)7-16-12;6-3-1-4(8)5(7)9-2-3/h7-9H,1-6H3;3-7H,14H2,1-2H3;1-2H,8H2
InChIKeyKWYQDUMAOOAZDJ-UHFFFAOYSA-N
MW793.21 g/mol
LogP6.19
Rot. Bonds4

About 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 167609902) has the molecular formula C30H38BBr3N8O2 and a molecular weight of 793.21 g/mol. Its IUPAC name is 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID167609902
Molecular FormulaC30H38BBr3N8O2
Molecular Weight793.21 g/mol
Exact Mass790.08
IUPAC Name5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCN(C)c1ccc(-c2ncc(Br)cc2N)cn1.CN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1cc(Br)cnc1Br
InChIInChI=1S/C13H21BN2O2.C12H13BrN4.C5H4Br2N2/c1-12(2)13(3,4)18-14(17-12)10-7-8-11(15-9-10)16(5)6;1-17(2)11-4-3-8(6-15-11)12-10(14)5-9(13)7-16-12;6-3-1-4(8)5(7)9-2-3/h7-9H,1-6H3;3-7H,14H2,1-2H3;1-2H,8H2
InChIKeyKWYQDUMAOOAZDJ-UHFFFAOYSA-N
XLogP6.19
TPSA128.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.21
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)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-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine
CID 146212467
N,N-diethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 71304524
5-bromo-2-phenylpyridine;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159971290
N-methyl-N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 71113316
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 142321910
5-bromopyrimidine;2-chloroacetyl chloride;1-chloro-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;5-pyrimidin-5-ylpyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 157350294
4-[4-(4-aminophenyl)phenyl]aniline;1,4-dibromobenzene;sulfane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 161154538
3-bromo-6-fluoroquinoline;6-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 157307084
4-bromo-2-methylaniline;2-bromo-1,3-thiazole;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-methyl-4-(1,3-thiazol-2-yl)aniline
CID 158657984
2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
CID 59619681
4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline
CID 176656505
2-pyridin-3-yl-5-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyridine
CID 90182370

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 167609902) is 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CN(C)c1ccc(-c2ncc(Br)cc2N)cn1.CN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1cc(Br)cnc1Br.
What is the InChIKey of 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is KWYQDUMAOOAZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BN2O2.C12H13BrN4.C5H4Br2N2/c1-12(2)13(3,4)18-14(17-12)10-7-8-11(15-9-10)16(5)6;1-17(2)11-4-3-8(6-15-11)12-10(14)5-9(13)7-16-12;6-3-1-4(8)5(7)9-2-3/h7-9H,1-6H3;3-7H,14H2,1-2H3;1-2H,8H2.
What are the key properties of 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 793.21 g/mol, XLogP of 6.19, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;2,5-dibromopyridin-3-amine;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 167609902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).