2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide

C11H11Br3N2 — CID 126689202

IUPAC2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
SMILESBr.Br.BrC(c1ccccn1)c1ccccn1
InChIInChI=1S/C11H9BrN2.2BrH/c12-11(9-5-1-3-7-13-9)10-6-2-4-8-14-10;;/h1-8,11H;2*1H
InChIKeyFXRKQQYFEWJQBF-UHFFFAOYSA-N
MW410.94 g/mol
LogP4.12
Rot. Bonds2

About 2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide

2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide (PubChem CID 126689202) has the molecular formula C11H11Br3N2 and a molecular weight of 410.94 g/mol. Its IUPAC name is 2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide.

Molecular Properties

Compound Name2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
PubChem CID126689202
Molecular FormulaC11H11Br3N2
Molecular Weight410.94 g/mol
Exact Mass407.85
IUPAC Name2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
SMILESBr.Br.BrC(c1ccccn1)c1ccccn1
InChIInChI=1S/C11H9BrN2.2BrH/c12-11(9-5-1-3-7-13-9)10-6-2-4-8-14-10;;/h1-8,11H;2*1H
InChIKeyFXRKQQYFEWJQBF-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.94
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-(1-bromoprop-2-enyl)pyridine
CID 70499448
2-bromo-2-pyridin-2-ylacetaldehyde
CID 87123192
2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide
CID 67780946
2-[(1R)-1-bromo-2-phenylethyl]pyridine
CID 124909068
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
2-(1-chloroprop-2-ynyl)pyridine
CID 146397078
chloro(pyridin-2-yl)methanamine
CID 22075524
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-(1,3-dichloropropan-2-yl)pyridine
CID 14046520

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide?
The IUPAC name of 2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide (CID 126689202) is 2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide.
What is the SMILES notation for 2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide?
The canonical SMILES for 2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide is Br.Br.BrC(c1ccccn1)c1ccccn1.
What is the InChIKey of 2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide?
The InChIKey is FXRKQQYFEWJQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2.2BrH/c12-11(9-5-1-3-7-13-9)10-6-2-4-8-14-10;;/h1-8,11H;2*1H.
What are the key properties of 2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide?
2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide has a molecular weight of 410.94 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide is sourced from PubChem (CID 126689202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).