2-[(1R)-1-bromo-2-phenylethyl]pyridine

C13H12BrN — CID 124909068

IUPAC2-[(1R)-1-bromo-2-phenylethyl]pyridine
SMILESBr[C@H](Cc1ccccc1)c1ccccn1
InChIInChI=1S/C13H12BrN/c14-12(13-8-4-5-9-15-13)10-11-6-2-1-3-7-11/h1-9,12H,10H2/t12-/m1/s1
InChIKeyYCWICVUFUMSNNG-GFCCVEGCSA-N
MW262.15 g/mol
LogP3.76
Rot. Bonds3

About 2-[(1R)-1-bromo-2-phenylethyl]pyridine

2-[(1R)-1-bromo-2-phenylethyl]pyridine (PubChem CID 124909068) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-[(1R)-1-bromo-2-phenylethyl]pyridine.

Molecular Properties

Compound Name2-[(1R)-1-bromo-2-phenylethyl]pyridine
PubChem CID124909068
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC Name2-[(1R)-1-bromo-2-phenylethyl]pyridine
SMILESBr[C@H](Cc1ccccc1)c1ccccn1
InChIInChI=1S/C13H12BrN/c14-12(13-8-4-5-9-15-13)10-11-6-2-1-3-7-11/h1-9,12H,10H2/t12-/m1/s1
InChIKeyYCWICVUFUMSNNG-GFCCVEGCSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 53.76
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

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CID 46919338
3-phenyl-2-pyridin-2-ylpropan-1-ol
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2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
CID 126689202
4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid
CID 54055770
2-(1-bromohexadecyl)pyridine;hydrate
CID 175001127
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
N-hydroxy-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide
CID 88651666
(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104926141
3-(4-bromophenyl)-2-pyridin-2-ylpropan-1-amine
CID 82094286
2-(4-chlorophenyl)-1-pyridin-2-ylethanol
CID 60798834
(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethanamine
CID 93312466
2-(1,3-dichloropropan-2-yl)pyridine
CID 14046520

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-bromo-2-phenylethyl]pyridine?
The IUPAC name of 2-[(1R)-1-bromo-2-phenylethyl]pyridine (CID 124909068) is 2-[(1R)-1-bromo-2-phenylethyl]pyridine.
What is the SMILES notation for 2-[(1R)-1-bromo-2-phenylethyl]pyridine?
The canonical SMILES for 2-[(1R)-1-bromo-2-phenylethyl]pyridine is Br[C@H](Cc1ccccc1)c1ccccn1.
What is the InChIKey of 2-[(1R)-1-bromo-2-phenylethyl]pyridine?
The InChIKey is YCWICVUFUMSNNG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H12BrN/c14-12(13-8-4-5-9-15-13)10-11-6-2-1-3-7-11/h1-9,12H,10H2/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-bromo-2-phenylethyl]pyridine?
2-[(1R)-1-bromo-2-phenylethyl]pyridine has a molecular weight of 262.15 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-bromo-2-phenylethyl]pyridine is sourced from PubChem (CID 124909068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).