5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine

C13H10BrCl2N — CID 174385685

IUPAC5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine
SMILESCC(Br)(c1ccc(Cl)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C13H10BrCl2N/c1-13(14,9-2-5-11(15)6-3-9)10-4-7-12(16)17-8-10/h2-8H,1H3
InChIKeyAHSWYDPJHJBVCC-UHFFFAOYSA-N
MW331.04 g/mol
LogP5.05
Rot. Bonds2

About 5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine

5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine (PubChem CID 174385685) has the molecular formula C13H10BrCl2N and a molecular weight of 331.04 g/mol. Its IUPAC name is 5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine.

Molecular Properties

Compound Name5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine
PubChem CID174385685
Molecular FormulaC13H10BrCl2N
Molecular Weight331.04 g/mol
Exact Mass328.94
IUPAC Name5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine
SMILESCC(Br)(c1ccc(Cl)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C13H10BrCl2N/c1-13(14,9-2-5-11(15)6-3-9)10-4-7-12(16)17-8-10/h2-8H,1H3
InChIKeyAHSWYDPJHJBVCC-UHFFFAOYSA-N
XLogP5.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.04
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-3-pyridinyl)propan-2-amine
CID 57370214
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CID 58542413
2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine
CID 164882420
2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile
CID 87171702
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol
CID 175567565
1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 63155579
2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine
CID 166491535
5-tert-butyl-2-(4-chlorophenoxy)pyridine
CID 59464073
1-chloro-4-(1,1-dichloroethyl)benzene
CID 12861387
2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine
CID 142028970
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CID 135213341

Frequently Asked Questions

What is the IUPAC name of 5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine?
The IUPAC name of 5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine (CID 174385685) is 5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine.
What is the SMILES notation for 5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine?
The canonical SMILES for 5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine is CC(Br)(c1ccc(Cl)cc1)c1ccc(Cl)nc1.
What is the InChIKey of 5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine?
The InChIKey is AHSWYDPJHJBVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N/c1-13(14,9-2-5-11(15)6-3-9)10-4-7-12(16)17-8-10/h2-8H,1H3.
What are the key properties of 5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine?
5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine has a molecular weight of 331.04 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine is sourced from PubChem (CID 174385685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).