4-bromo-3-(1-bromoethyl)pyridine

C7H7Br2N — CID 119087167

IUPAC4-bromo-3-(1-bromoethyl)pyridine
SMILESCC(Br)c1cnccc1Br
InChIInChI=1S/C7H7Br2N/c1-5(8)6-4-10-3-2-7(6)9/h2-5H,1H3
InChIKeyIQDBOFJWRQRQLF-UHFFFAOYSA-N
MW264.95 g/mol
LogP3.30
Rot. Bonds1

About 4-bromo-3-(1-bromoethyl)pyridine

4-bromo-3-(1-bromoethyl)pyridine (PubChem CID 119087167) has the molecular formula C7H7Br2N and a molecular weight of 264.95 g/mol. Its IUPAC name is 4-bromo-3-(1-bromoethyl)pyridine.

Molecular Properties

Compound Name4-bromo-3-(1-bromoethyl)pyridine
PubChem CID119087167
Molecular FormulaC7H7Br2N
Molecular Weight264.95 g/mol
Exact Mass262.89
IUPAC Name4-bromo-3-(1-bromoethyl)pyridine
SMILESCC(Br)c1cnccc1Br
InChIInChI=1S/C7H7Br2N/c1-5(8)6-4-10-3-2-7(6)9/h2-5H,1H3
InChIKeyIQDBOFJWRQRQLF-UHFFFAOYSA-N
XLogP3.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.95
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368
3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine
CID 84805510
(1S)-1-(4-bromo-3-pyridinyl)propan-1-amine
CID 130713108
4-(bromomethyl)-3-propan-2-ylpyridine
CID 131699764
3-[(3-bromo-4-pyridinyl)sulfanyl]butan-2-ol
CID 107771144
(2-bromo-5-methylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 115817855
4-bromo-N,N-dimethylpyridin-3-amine
CID 23436877
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
3-bromo-4-(1-ethoxyethyl)pyridine
CID 71104941
4-(3-bromobutan-2-yl)-3-fluoropyridine
CID 104738939
1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate
CID 143270159
(1R)-1-(4-chloro-3-pyridinyl)ethanethiol
CID 163825883

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(1-bromoethyl)pyridine?
The IUPAC name of 4-bromo-3-(1-bromoethyl)pyridine (CID 119087167) is 4-bromo-3-(1-bromoethyl)pyridine.
What is the SMILES notation for 4-bromo-3-(1-bromoethyl)pyridine?
The canonical SMILES for 4-bromo-3-(1-bromoethyl)pyridine is CC(Br)c1cnccc1Br.
What is the InChIKey of 4-bromo-3-(1-bromoethyl)pyridine?
The InChIKey is IQDBOFJWRQRQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N/c1-5(8)6-4-10-3-2-7(6)9/h2-5H,1H3.
What are the key properties of 4-bromo-3-(1-bromoethyl)pyridine?
4-bromo-3-(1-bromoethyl)pyridine has a molecular weight of 264.95 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(1-bromoethyl)pyridine is sourced from PubChem (CID 119087167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).