4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine

C14H12BrCl2N — CID 113461118

IUPAC4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine
SMILESCc1cc(Br)cc(C(Cl)Cc2ccncc2Cl)c1
InChIInChI=1S/C14H12BrCl2N/c1-9-4-11(6-12(15)5-9)13(16)7-10-2-3-18-8-14(10)17/h2-6,8,13H,7H2,1H3
InChIKeyHYJLVOONQIUKLP-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.33
Rot. Bonds3

About 4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine

4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine (PubChem CID 113461118) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is 4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine.

Molecular Properties

Compound Name4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine
PubChem CID113461118
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine
SMILESCc1cc(Br)cc(C(Cl)Cc2ccncc2Cl)c1
InChIInChI=1S/C14H12BrCl2N/c1-9-4-11(6-12(15)5-9)13(16)7-10-2-3-18-8-14(10)17/h2-6,8,13H,7H2,1H3
InChIKeyHYJLVOONQIUKLP-UHFFFAOYSA-N
XLogP5.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.07
LogP ≤ 55.33
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-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine
CID 112655916
3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine
CID 112655906
1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 107946091
3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine
CID 115985113
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol
CID 79443451
3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine
CID 112655944
4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine
CID 107958110
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655450
1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 81446998
3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine
CID 79437272
4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine
CID 114824018

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine?
The IUPAC name of 4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine (CID 113461118) is 4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine.
What is the SMILES notation for 4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine?
The canonical SMILES for 4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine is Cc1cc(Br)cc(C(Cl)Cc2ccncc2Cl)c1.
What is the InChIKey of 4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine?
The InChIKey is HYJLVOONQIUKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c1-9-4-11(6-12(15)5-9)13(16)7-10-2-3-18-8-14(10)17/h2-6,8,13H,7H2,1H3.
What are the key properties of 4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine?
4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine has a molecular weight of 345.07 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine is sourced from PubChem (CID 113461118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).