4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine

C9H11Br2N — CID 177314312

IUPAC4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine
SMILESCC(C)c1c(Br)ccnc1CBr
InChIInChI=1S/C9H11Br2N/c1-6(2)9-7(11)3-4-12-8(9)5-10/h3-4,6H,5H2,1-2H3
InChIKeyZUBVQMFKCMHORC-UHFFFAOYSA-N
MW293.00 g/mol
LogP3.86
Rot. Bonds2

About 4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine

4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine (PubChem CID 177314312) has the molecular formula C9H11Br2N and a molecular weight of 293.00 g/mol. Its IUPAC name is 4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine.

Molecular Properties

Compound Name4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine
PubChem CID177314312
Molecular FormulaC9H11Br2N
Molecular Weight293.00 g/mol
Exact Mass290.93
IUPAC Name4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine
SMILESCC(C)c1c(Br)ccnc1CBr
InChIInChI=1S/C9H11Br2N/c1-6(2)9-7(11)3-4-12-8(9)5-10/h3-4,6H,5H2,1-2H3
InChIKeyZUBVQMFKCMHORC-UHFFFAOYSA-N
XLogP3.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.00
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine?
The IUPAC name of 4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine (CID 177314312) is 4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine.
What is the SMILES notation for 4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine?
The canonical SMILES for 4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine is CC(C)c1c(Br)ccnc1CBr.
What is the InChIKey of 4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine?
The InChIKey is ZUBVQMFKCMHORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N/c1-6(2)9-7(11)3-4-12-8(9)5-10/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine?
4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine has a molecular weight of 293.00 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine is sourced from PubChem (CID 177314312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).