5-bromo-2-(dideuteriomethyl)pyridine

C6H6BrN — CID 177316753

IUPAC5-bromo-2-(dideuteriomethyl)pyridine
SMILES[2H]C([2H])c1ccc(Br)cn1
InChIInChI=1S/C6H6BrN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3/i1D2
InChIKeyOFKWIQJLYCKDNY-DICFDUPASA-N
MW174.04 g/mol
LogP2.15
Rot. Bonds1

About 5-bromo-2-(dideuteriomethyl)pyridine

5-bromo-2-(dideuteriomethyl)pyridine (PubChem CID 177316753) has the molecular formula C6H6BrN and a molecular weight of 174.04 g/mol. Its IUPAC name is 5-bromo-2-(dideuteriomethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(dideuteriomethyl)pyridine
PubChem CID177316753
Molecular FormulaC6H6BrN
Molecular Weight174.04 g/mol
Exact Mass172.98
IUPAC Name5-bromo-2-(dideuteriomethyl)pyridine
SMILES[2H]C([2H])c1ccc(Br)cn1
InChIInChI=1S/C6H6BrN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3/i1D2
InChIKeyOFKWIQJLYCKDNY-DICFDUPASA-N
XLogP2.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.04
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-methylpyridine;formic acid
CID 174794271
2,5-dibromopyridine;ethane
CID 90871570
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
(5-bromo-2-pyridinyl)-trimethylstannane
CID 11151376
5-bromo-2-methoxypyridine
CID 2734895
1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155712
5-bromopyridine-2-thiolate
CID 26338075
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
5-bromo-2-[(S)-methylsulfinyl]pyridine
CID 171991635
5-bromopyridin-2-amine;hydrochloride
CID 22615197
5-bromo-2-(1,1-difluoroethyl)pyridine
CID 118395151
(5-bromo-2-pyridinyl)sulfanyl-trimethylsilane
CID 101466629

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(dideuteriomethyl)pyridine?
The IUPAC name of 5-bromo-2-(dideuteriomethyl)pyridine (CID 177316753) is 5-bromo-2-(dideuteriomethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(dideuteriomethyl)pyridine?
The canonical SMILES for 5-bromo-2-(dideuteriomethyl)pyridine is [2H]C([2H])c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(dideuteriomethyl)pyridine?
The InChIKey is OFKWIQJLYCKDNY-DICFDUPASA-N. The full InChI is InChI=1S/C6H6BrN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3/i1D2.
What are the key properties of 5-bromo-2-(dideuteriomethyl)pyridine?
5-bromo-2-(dideuteriomethyl)pyridine has a molecular weight of 174.04 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(dideuteriomethyl)pyridine is sourced from PubChem (CID 177316753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).