2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine

C12H6Br2N2 — CID 24874157

IUPAC2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine
SMILESBrc1ncccc1C#Cc1cccnc1Br
InChIInChI=1S/C12H6Br2N2/c13-11-9(3-1-7-15-11)5-6-10-4-2-8-16-12(10)14/h1-4,7-8H
InChIKeyONADBXYPHPUWTE-UHFFFAOYSA-N
MW338.00 g/mol
LogP3.40
Rot. Bonds

About 2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine

2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine (PubChem CID 24874157) has the molecular formula C12H6Br2N2 and a molecular weight of 338.00 g/mol. Its IUPAC name is 2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine.

Molecular Properties

Compound Name2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine
PubChem CID24874157
Molecular FormulaC12H6Br2N2
Molecular Weight338.00 g/mol
Exact Mass335.89
IUPAC Name2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine
SMILESBrc1ncccc1C#Cc1cccnc1Br
InChIInChI=1S/C12H6Br2N2/c13-11-9(3-1-7-15-11)5-6-10-4-2-8-16-12(10)14/h1-4,7-8H
InChIKeyONADBXYPHPUWTE-UHFFFAOYSA-N
XLogP3.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile
CID 161381350
2-bromo-3-methylpyridine;ethane
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2-bromo-3-methylpyridine;zinc
CID 87255964
2-bromo-3-propan-2-ylpyridine
CID 23436869
3-(3-bromoprop-1-ynyl)-2-fluoropyridine
CID 146626830
N,N-dimethyl-3-(2-phenylethynyl)pyridin-2-amine
CID 146162182
2-(2-bromo-3-pyridinyl)ethanol
CID 87594301
N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine
CID 146749341
2-(2-bromo-3-pyridinyl)acetaldehyde
CID 58138967
2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine
CID 10585519
2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine
CID 134967930
3-(4-bromobut-1-ynyl)-2-chloropyridine
CID 170465544

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine?
The IUPAC name of 2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine (CID 24874157) is 2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine.
What is the SMILES notation for 2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine?
The canonical SMILES for 2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine is Brc1ncccc1C#Cc1cccnc1Br.
What is the InChIKey of 2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine?
The InChIKey is ONADBXYPHPUWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2N2/c13-11-9(3-1-7-15-11)5-6-10-4-2-8-16-12(10)14/h1-4,7-8H.
What are the key properties of 2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine?
2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine has a molecular weight of 338.00 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine is sourced from PubChem (CID 24874157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).