5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine

C11H15Br2N — CID 79718246

IUPAC5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine
SMILESCc1cc(Br)cnc1CC(Br)C(C)C
InChIInChI=1S/C11H15Br2N/c1-7(2)10(13)5-11-8(3)4-9(12)6-14-11/h4,6-7,10H,5H2,1-3H3
InChIKeyAHZVWFGIBFGJHO-UHFFFAOYSA-N
MW321.06 g/mol
LogP4.11
Rot. Bonds3

About 5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine

5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine (PubChem CID 79718246) has the molecular formula C11H15Br2N and a molecular weight of 321.06 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine
PubChem CID79718246
Molecular FormulaC11H15Br2N
Molecular Weight321.06 g/mol
Exact Mass318.96
IUPAC Name5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine
SMILESCc1cc(Br)cnc1CC(Br)C(C)C
InChIInChI=1S/C11H15Br2N/c1-7(2)10(13)5-11-8(3)4-9(12)6-14-11/h4,6-7,10H,5H2,1-3H3
InChIKeyAHZVWFGIBFGJHO-UHFFFAOYSA-N
XLogP4.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.06
LogP ≤ 54.11
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

Brompheniramine
CID 6834
Zimelidine
CID 5365247
Dexbrompheniramine
CID 16960
5-Ethyl-2-methylpyridine
CID 7728
2-Isobutylpyridine
CID 61385
2-Isopropylpyridine
CID 69523
2-Ethyl-5-methylpyridine
CID 519519
5-Hexyl-2-methyl pyridine
CID 522401
2-(3-Pentyl)pyridine
CID 81887
2-(4-Bromophenyl)-5-pentylpyridine
CID 3092175
(2E)-3-(4-Bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine
CID 5458656
Pyridine, 2-(1-butylpentyl)-
CID 137778

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine?
The IUPAC name of 5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine (CID 79718246) is 5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine.
What is the SMILES notation for 5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine?
The canonical SMILES for 5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine is Cc1cc(Br)cnc1CC(Br)C(C)C.
What is the InChIKey of 5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine?
The InChIKey is AHZVWFGIBFGJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N/c1-7(2)10(13)5-11-8(3)4-9(12)6-14-11/h4,6-7,10H,5H2,1-3H3.
What are the key properties of 5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine?
5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine has a molecular weight of 321.06 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine is sourced from PubChem (CID 79718246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).