2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide

C13H10Br2N2 — CID 67780946

IUPAC2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide
SMILESBr.BrC(C#Cc1ccccn1)c1ccccn1
InChIInChI=1S/C13H9BrN2.BrH/c14-12(13-6-2-4-10-16-13)8-7-11-5-1-3-9-15-11;/h1-6,9-10,12H;1H
InChIKeyKTPNIRXTJGPVEB-UHFFFAOYSA-N
MW354.05 g/mol
LogP3.54
Rot. Bonds1

About 2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide

2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide (PubChem CID 67780946) has the molecular formula C13H10Br2N2 and a molecular weight of 354.05 g/mol. Its IUPAC name is 2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide.

Molecular Properties

Compound Name2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide
PubChem CID67780946
Molecular FormulaC13H10Br2N2
Molecular Weight354.05 g/mol
Exact Mass351.92
IUPAC Name2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide
SMILESBr.BrC(C#Cc1ccccn1)c1ccccn1
InChIInChI=1S/C13H9BrN2.BrH/c14-12(13-6-2-4-10-16-13)8-7-11-5-1-3-9-15-11;/h1-6,9-10,12H;1H
InChIKeyKTPNIRXTJGPVEB-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.05
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
CID 126689202
2-(1-chloroprop-2-ynyl)pyridine
CID 146397078
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-ethynylpyridine;hydrate
CID 141238736
2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
dimethyl(2-pyridin-2-ylethynyl)silane
CID 155627519
chloro(pyridin-2-yl)methanamine
CID 22075524
2-(3-fluoroprop-1-ynyl)pyridine
CID 123437689
2-(1-bromoprop-2-enyl)pyridine
CID 70499448
2-bromo-2-pyridin-2-ylacetaldehyde
CID 87123192
2-(2-isocyanatoethynyl)pyridine
CID 117264947
2-[2-(4-iodophenyl)ethynyl]pyridine
CID 125483767

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide?
The IUPAC name of 2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide (CID 67780946) is 2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide.
What is the SMILES notation for 2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide?
The canonical SMILES for 2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide is Br.BrC(C#Cc1ccccn1)c1ccccn1.
What is the InChIKey of 2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide?
The InChIKey is KTPNIRXTJGPVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2.BrH/c14-12(13-6-2-4-10-16-13)8-7-11-5-1-3-9-15-11;/h1-6,9-10,12H;1H.
What are the key properties of 2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide?
2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide has a molecular weight of 354.05 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide is sourced from PubChem (CID 67780946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).