5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine

C15H11Br3N4 — CID 161070357

IUPAC5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine
SMILESBrc1ccc(Br)nc1.Brc1ccc(Nc2ccccn2)nc1
InChIInChI=1S/C10H8BrN3.C5H3Br2N/c11-8-4-5-10(13-7-8)14-9-3-1-2-6-12-9;6-4-1-2-5(7)8-3-4/h1-7H,(H,12,13,14);1-3H
InChIKeyUEOOFQMEMGPTHV-UHFFFAOYSA-N
MW486.99 g/mol
LogP5.59
Rot. Bonds2

About 5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine

5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine (PubChem CID 161070357) has the molecular formula C15H11Br3N4 and a molecular weight of 486.99 g/mol. Its IUPAC name is 5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine.

Molecular Properties

Compound Name5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine
PubChem CID161070357
Molecular FormulaC15H11Br3N4
Molecular Weight486.99 g/mol
Exact Mass483.85
IUPAC Name5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine
SMILESBrc1ccc(Br)nc1.Brc1ccc(Nc2ccccn2)nc1
InChIInChI=1S/C10H8BrN3.C5H3Br2N/c11-8-4-5-10(13-7-8)14-9-3-1-2-6-12-9;6-4-1-2-5(7)8-3-4/h1-7H,(H,12,13,14);1-3H
InChIKeyUEOOFQMEMGPTHV-UHFFFAOYSA-N
XLogP5.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.99
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
2,5-dibromopyridine;ethane
CID 90871570
N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
CID 139594069
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
2-bromo(212C)pyridine
CID 126713665
silver;tetrakis(N-pyridin-2-ylpyridin-2-amine);nitrate
CID 139086290
N-chloropyridin-2-amine
CID 22481248
4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19137129
5-bromo-N-(5-bromothiophen-2-yl)pyridin-2-amine
CID 115146458
magnesium;2-bromopyridine;dichloride
CID 174775023
6-N-(5-bromo-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19144598
8-fluoro-N-pyridin-2-ylquinolin-2-amine
CID 154949087

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine?
The IUPAC name of 5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine (CID 161070357) is 5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine.
What is the SMILES notation for 5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine?
The canonical SMILES for 5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine is Brc1ccc(Br)nc1.Brc1ccc(Nc2ccccn2)nc1.
What is the InChIKey of 5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine?
The InChIKey is UEOOFQMEMGPTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3.C5H3Br2N/c11-8-4-5-10(13-7-8)14-9-3-1-2-6-12-9;6-4-1-2-5(7)8-3-4/h1-7H,(H,12,13,14);1-3H.
What are the key properties of 5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine?
5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine has a molecular weight of 486.99 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine is sourced from PubChem (CID 161070357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).