5-bromo-2-(3-bromo-2-phenylpropyl)pyridine

C14H13Br2N — CID 104813337

IUPAC5-bromo-2-(3-bromo-2-phenylpropyl)pyridine
SMILESBrCC(Cc1ccc(Br)cn1)c1ccccc1
InChIInChI=1S/C14H13Br2N/c15-9-12(11-4-2-1-3-5-11)8-14-7-6-13(16)10-17-14/h1-7,10,12H,8-9H2
InChIKeyWEYOLMQOAZEPHQ-UHFFFAOYSA-N
MW355.07 g/mol
LogP4.57
Rot. Bonds4

About 5-bromo-2-(3-bromo-2-phenylpropyl)pyridine

5-bromo-2-(3-bromo-2-phenylpropyl)pyridine (PubChem CID 104813337) has the molecular formula C14H13Br2N and a molecular weight of 355.07 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-2-phenylpropyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-2-phenylpropyl)pyridine
PubChem CID104813337
Molecular FormulaC14H13Br2N
Molecular Weight355.07 g/mol
Exact Mass352.94
IUPAC Name5-bromo-2-(3-bromo-2-phenylpropyl)pyridine
SMILESBrCC(Cc1ccc(Br)cn1)c1ccccc1
InChIInChI=1S/C14H13Br2N/c15-9-12(11-4-2-1-3-5-11)8-14-7-6-13(16)10-17-14/h1-7,10,12H,8-9H2
InChIKeyWEYOLMQOAZEPHQ-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.07
LogP ≤ 54.57
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

N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 104810744
5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine
CID 104846463
3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol
CID 113456079
3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol
CID 104813197
3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine
CID 113455848
1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol
CID 115833121
3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845549
1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine
CID 104801822
N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine
CID 104813898
2-phenyl-3-(5-phenyl-2-pyridinyl)propan-1-amine
CID 144927473
5-(3-bromo-2-phenylpropyl)-2-methyl-1,3-thiazole
CID 66042860
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromo-2-phenylpropyl)pyridine?
The IUPAC name of 5-bromo-2-(3-bromo-2-phenylpropyl)pyridine (CID 104813337) is 5-bromo-2-(3-bromo-2-phenylpropyl)pyridine.
What is the SMILES notation for 5-bromo-2-(3-bromo-2-phenylpropyl)pyridine?
The canonical SMILES for 5-bromo-2-(3-bromo-2-phenylpropyl)pyridine is BrCC(Cc1ccc(Br)cn1)c1ccccc1.
What is the InChIKey of 5-bromo-2-(3-bromo-2-phenylpropyl)pyridine?
The InChIKey is WEYOLMQOAZEPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N/c15-9-12(11-4-2-1-3-5-11)8-14-7-6-13(16)10-17-14/h1-7,10,12H,8-9H2.
What are the key properties of 5-bromo-2-(3-bromo-2-phenylpropyl)pyridine?
5-bromo-2-(3-bromo-2-phenylpropyl)pyridine has a molecular weight of 355.07 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromo-2-phenylpropyl)pyridine is sourced from PubChem (CID 104813337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).