2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine

C12H10Br2N2 — CID 102053122

IUPAC2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine
SMILES[2H]C([2H])(Br)c1cccc(-c2cccc(C([2H])([2H])Br)n2)n1
InChIInChI=1S/C12H10Br2N2/c13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12/h1-6H,7-8H2/i7D2,8D2
InChIKeyNFQNNYSVIFMWGU-OSEHSPPNSA-N
MW346.06 g/mol
LogP3.93
Rot. Bonds3

About 2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine

2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine (PubChem CID 102053122) has the molecular formula C12H10Br2N2 and a molecular weight of 346.06 g/mol. Its IUPAC name is 2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine
PubChem CID102053122
Molecular FormulaC12H10Br2N2
Molecular Weight346.06 g/mol
Exact Mass343.95
IUPAC Name2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine
SMILES[2H]C([2H])(Br)c1cccc(-c2cccc(C([2H])([2H])Br)n2)n1
InChIInChI=1S/C12H10Br2N2/c13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12/h1-6H,7-8H2/i7D2,8D2
InChIKeyNFQNNYSVIFMWGU-OSEHSPPNSA-N
XLogP3.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.06
LogP ≤ 53.93
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

ethane;2-ethyl-6-(6-ethyl-2-pyridinyl)pyridine
CID 164534151
2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine
CID 130153092
2-methyl-6-[6-[2-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]ethyl]-2-pyridinyl]pyridine
CID 14148604
2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxymethyl)amino]acetic acid
CID 14975255
2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine
CID 15434328
N-[[6-[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 91221880
2-(fluoromethyl)-6-phenylpyridine
CID 58240037
2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid
CID 54257408
2,6-bis(bromomethyl)pyridine;[6-(hydroxymethyl)-2-pyridinyl]methanol
CID 158197144
2-(bromomethyl)-6-iodopyridine
CID 119084296
2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine
CID 71277471
[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methanamine
CID 84661560

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine?
The IUPAC name of 2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine (CID 102053122) is 2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine is [2H]C([2H])(Br)c1cccc(-c2cccc(C([2H])([2H])Br)n2)n1.
What is the InChIKey of 2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine?
The InChIKey is NFQNNYSVIFMWGU-OSEHSPPNSA-N. The full InChI is InChI=1S/C12H10Br2N2/c13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12/h1-6H,7-8H2/i7D2,8D2.
What are the key properties of 2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine?
2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine has a molecular weight of 346.06 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(dideuterio)methyl]-6-[6-[bromo(dideuterio)methyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 102053122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).