3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine

C11H15Br2N — CID 63203575

IUPAC3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine
SMILESCC(C)(C)C(Br)Cc1ncccc1Br
InChIInChI=1S/C11H15Br2N/c1-11(2,3)10(13)7-9-8(12)5-4-6-14-9/h4-6,10H,7H2,1-3H3
InChIKeyBGEFDKXMUQNFQT-UHFFFAOYSA-N
MW321.06 g/mol
LogP4.20
Rot. Bonds2

About 3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine

3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine (PubChem CID 63203575) has the molecular formula C11H15Br2N and a molecular weight of 321.06 g/mol. Its IUPAC name is 3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine
PubChem CID63203575
Molecular FormulaC11H15Br2N
Molecular Weight321.06 g/mol
Exact Mass318.96
IUPAC Name3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine
SMILESCC(C)(C)C(Br)Cc1ncccc1Br
InChIInChI=1S/C11H15Br2N/c1-11(2,3)10(13)7-9-8(12)5-4-6-14-9/h4-6,10H,7H2,1-3H3
InChIKeyBGEFDKXMUQNFQT-UHFFFAOYSA-N
XLogP4.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.06
LogP ≤ 54.20
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

2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine
CID 63204105
3-bromo-2-(3-bromo-2-methylbutyl)pyridine
CID 130576080
1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol
CID 130575838
4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine
CID 130589412
1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine
CID 130576837
3-bromo-2-(2-chloropentyl)pyridine
CID 63203121
2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol
CID 130576237
2-(3-bromo-2-pyridinyl)-1-cyclopropyl-N-methylethanamine
CID 63353363
2-amino-3-(3-bromo-2-pyridinyl)propanamide
CID 130575756
4-(3-bromo-2-pyridinyl)butan-2-ol
CID 130576069
4-(3-bromo-2-pyridinyl)butan-2-one
CID 130575763

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine?
The IUPAC name of 3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine (CID 63203575) is 3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine.
What is the SMILES notation for 3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine?
The canonical SMILES for 3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine is CC(C)(C)C(Br)Cc1ncccc1Br.
What is the InChIKey of 3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine?
The InChIKey is BGEFDKXMUQNFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N/c1-11(2,3)10(13)7-9-8(12)5-4-6-14-9/h4-6,10H,7H2,1-3H3.
What are the key properties of 3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine?
3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine has a molecular weight of 321.06 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine is sourced from PubChem (CID 63203575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).