3-bromo-2-(3-bromo-2-methylbutyl)pyridine

C10H13Br2N — CID 130576080

IUPAC3-bromo-2-(3-bromo-2-methylbutyl)pyridine
SMILESCC(Br)C(C)Cc1ncccc1Br
InChIInChI=1S/C10H13Br2N/c1-7(8(2)11)6-10-9(12)4-3-5-13-10/h3-5,7-8H,6H2,1-2H3
InChIKeyRSOHUBDOIHSYMN-UHFFFAOYSA-N
MW307.03 g/mol
LogP3.81
Rot. Bonds3

About 3-bromo-2-(3-bromo-2-methylbutyl)pyridine

3-bromo-2-(3-bromo-2-methylbutyl)pyridine (PubChem CID 130576080) has the molecular formula C10H13Br2N and a molecular weight of 307.03 g/mol. Its IUPAC name is 3-bromo-2-(3-bromo-2-methylbutyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(3-bromo-2-methylbutyl)pyridine
PubChem CID130576080
Molecular FormulaC10H13Br2N
Molecular Weight307.03 g/mol
Exact Mass304.94
IUPAC Name3-bromo-2-(3-bromo-2-methylbutyl)pyridine
SMILESCC(Br)C(C)Cc1ncccc1Br
InChIInChI=1S/C10H13Br2N/c1-7(8(2)11)6-10-9(12)4-3-5-13-10/h3-5,7-8H,6H2,1-2H3
InChIKeyRSOHUBDOIHSYMN-UHFFFAOYSA-N
XLogP3.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.03
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-2-(3-bromo-2-methylbutyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine
CID 63203575
1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol
CID 130575838
3-bromo-2-(2-chloropentyl)pyridine
CID 63203121
3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine
CID 130576837
2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol
CID 130576237
4-(3-bromo-2-pyridinyl)butan-2-ol
CID 130576069
4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine
CID 130589412
2-(3-bromo-2-pyridinyl)-1-cyclopropyl-N-methylethanamine
CID 63353363
2-amino-3-(3-bromo-2-pyridinyl)propanamide
CID 130575756
2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine
CID 107517375
4-(3-bromo-2-pyridinyl)butan-2-one
CID 130575763

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-bromo-2-methylbutyl)pyridine?
The IUPAC name of 3-bromo-2-(3-bromo-2-methylbutyl)pyridine (CID 130576080) is 3-bromo-2-(3-bromo-2-methylbutyl)pyridine.
What is the SMILES notation for 3-bromo-2-(3-bromo-2-methylbutyl)pyridine?
The canonical SMILES for 3-bromo-2-(3-bromo-2-methylbutyl)pyridine is CC(Br)C(C)Cc1ncccc1Br.
What is the InChIKey of 3-bromo-2-(3-bromo-2-methylbutyl)pyridine?
The InChIKey is RSOHUBDOIHSYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N/c1-7(8(2)11)6-10-9(12)4-3-5-13-10/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 3-bromo-2-(3-bromo-2-methylbutyl)pyridine?
3-bromo-2-(3-bromo-2-methylbutyl)pyridine has a molecular weight of 307.03 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-bromo-2-methylbutyl)pyridine is sourced from PubChem (CID 130576080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).