2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine

C14H12Br2ClN — CID 114376362

IUPAC2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Cl)c2cc(Br)ccc2Br)nc1
InChIInChI=1S/C14H12Br2ClN/c1-9-2-4-11(18-8-9)7-14(17)12-6-10(15)3-5-13(12)16/h2-6,8,14H,7H2,1H3
InChIKeyKSTGOSXQCDSQID-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.44
Rot. Bonds3

About 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine

2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine (PubChem CID 114376362) has the molecular formula C14H12Br2ClN and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine
PubChem CID114376362
Molecular FormulaC14H12Br2ClN
Molecular Weight389.52 g/mol
Exact Mass386.90
IUPAC Name2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Cl)c2cc(Br)ccc2Br)nc1
InChIInChI=1S/C14H12Br2ClN/c1-9-2-4-11(18-8-9)7-14(17)12-6-10(15)3-5-13(12)16/h2-6,8,14H,7H2,1H3
InChIKeyKSTGOSXQCDSQID-UHFFFAOYSA-N
XLogP5.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine?
The IUPAC name of 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine (CID 114376362) is 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine?
The canonical SMILES for 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine is Cc1ccc(CC(Cl)c2cc(Br)ccc2Br)nc1.
What is the InChIKey of 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine?
The InChIKey is KSTGOSXQCDSQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClN/c1-9-2-4-11(18-8-9)7-14(17)12-6-10(15)3-5-13(12)16/h2-6,8,14H,7H2,1H3.
What are the key properties of 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine?
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine has a molecular weight of 389.52 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine is sourced from PubChem (CID 114376362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).