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

C15H15BrClN — CID 104846463

IUPAC5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine
SMILESCC(Cc1ccc(Br)cn1)C(Cl)c1ccccc1
InChIInChI=1S/C15H15BrClN/c1-11(9-14-8-7-13(16)10-18-14)15(17)12-5-3-2-4-6-12/h2-8,10-11,15H,9H2,1H3
InChIKeyOAGGHKQHROBQLG-UHFFFAOYSA-N
MW324.65 g/mol
LogP5.00
Rot. Bonds4

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

5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine (PubChem CID 104846463) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine
PubChem CID104846463
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine
SMILESCC(Cc1ccc(Br)cn1)C(Cl)c1ccccc1
InChIInChI=1S/C15H15BrClN/c1-11(9-14-8-7-13(16)10-18-14)15(17)12-5-3-2-4-6-12/h2-8,10-11,15H,9H2,1H3
InChIKeyOAGGHKQHROBQLG-UHFFFAOYSA-N
XLogP5.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.65
LogP ≤ 55.00
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

3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845549
1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol
CID 115833121
5-bromo-2-(3-bromo-2-phenylpropyl)pyridine
CID 104813337
N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 104810744
5-bromo-2-(3-chloro-2-methylpropyl)pyridine
CID 104813254
1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
CID 104810070
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109
1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine
CID 104801822
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
4-amino-1-(5-bromo-2-pyridinyl)-3-methyl-4-phenylbutan-2-one
CID 116599054
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine?
The IUPAC name of 5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine (CID 104846463) is 5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine.
What is the SMILES notation for 5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine?
The canonical SMILES for 5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine is CC(Cc1ccc(Br)cn1)C(Cl)c1ccccc1.
What is the InChIKey of 5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine?
The InChIKey is OAGGHKQHROBQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-11(9-14-8-7-13(16)10-18-14)15(17)12-5-3-2-4-6-12/h2-8,10-11,15H,9H2,1H3.
What are the key properties of 5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine?
5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine has a molecular weight of 324.65 g/mol, XLogP of 5.00, 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-chloro-2-methyl-3-phenylpropyl)pyridine is sourced from PubChem (CID 104846463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).