3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine

C13H11BrClN — CID 63018759

IUPAC3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine
SMILESClc1cccc(CC(Br)c2cccnc2)c1
InChIInChI=1S/C13H11BrClN/c14-13(11-4-2-6-16-9-11)8-10-3-1-5-12(15)7-10/h1-7,9,13H,8H2
InChIKeyXPAXOXXAAOMRHP-UHFFFAOYSA-N
MW296.60 g/mol
LogP4.41
Rot. Bonds3

About 3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine

3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine (PubChem CID 63018759) has the molecular formula C13H11BrClN and a molecular weight of 296.60 g/mol. Its IUPAC name is 3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine
PubChem CID63018759
Molecular FormulaC13H11BrClN
Molecular Weight296.60 g/mol
Exact Mass294.98
IUPAC Name3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine
SMILESClc1cccc(CC(Br)c2cccnc2)c1
InChIInChI=1S/C13H11BrClN/c14-13(11-4-2-6-16-9-11)8-10-3-1-5-12(15)7-10/h1-7,9,13H,8H2
InChIKeyXPAXOXXAAOMRHP-UHFFFAOYSA-N
XLogP4.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.60
LogP ≤ 54.41
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-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine
CID 63016855
3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine
CID 63018745
3-(3-chlorophenyl)-2-pyridin-3-ylpropan-1-amine
CID 83825270
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene
CID 55198173
1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene
CID 63543130
2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine
CID 21156761
(E)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methyl]-3-pyridin-3-ylprop-1-ene-1,3-diol
CID 143201409
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluorobenzene
CID 55225424
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentafluorobenzene
CID 63529741
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene
CID 63438087
2-bromo-1-(3-chlorophenyl)-2-pyridin-3-ylethanone;hydrobromide
CID 22282365
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-(trifluoromethoxy)benzene
CID 116629289

Frequently Asked Questions

What is the IUPAC name of 3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine?
The IUPAC name of 3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine (CID 63018759) is 3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine.
What is the SMILES notation for 3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine?
The canonical SMILES for 3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine is Clc1cccc(CC(Br)c2cccnc2)c1.
What is the InChIKey of 3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine?
The InChIKey is XPAXOXXAAOMRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN/c14-13(11-4-2-6-16-9-11)8-10-3-1-5-12(15)7-10/h1-7,9,13H,8H2.
What are the key properties of 3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine?
3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine has a molecular weight of 296.60 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine is sourced from PubChem (CID 63018759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).