2-bromo-5-(2-chloroethyl)pyridine

C7H7BrClN — CID 130116129

IUPAC2-bromo-5-(2-chloroethyl)pyridine
SMILESClCCc1ccc(Br)nc1
InChIInChI=1S/C7H7BrClN/c8-7-2-1-6(3-4-9)5-10-7/h1-2,5H,3-4H2
InChIKeyVDJFLSDYZDBGOQ-UHFFFAOYSA-N
MW220.50 g/mol
LogP2.63
Rot. Bonds2

About 2-bromo-5-(2-chloroethyl)pyridine

2-bromo-5-(2-chloroethyl)pyridine (PubChem CID 130116129) has the molecular formula C7H7BrClN and a molecular weight of 220.50 g/mol. Its IUPAC name is 2-bromo-5-(2-chloroethyl)pyridine.

Molecular Properties

Compound Name2-bromo-5-(2-chloroethyl)pyridine
PubChem CID130116129
Molecular FormulaC7H7BrClN
Molecular Weight220.50 g/mol
Exact Mass218.95
IUPAC Name2-bromo-5-(2-chloroethyl)pyridine
SMILESClCCc1ccc(Br)nc1
InChIInChI=1S/C7H7BrClN/c8-7-2-1-6(3-4-9)5-10-7/h1-2,5H,3-4H2
InChIKeyVDJFLSDYZDBGOQ-UHFFFAOYSA-N
XLogP2.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.50
LogP ≤ 52.63
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-bromo-3-pyridinyl)ethanol
CID 22473220
(6-bromo-3-pyridinyl)methanamine
CID 22450529
2-bromo-5-pentylpyridine
CID 170248675
4-(6-bromo-3-pyridinyl)butan-1-ol
CID 87305203
2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine
CID 87702483
2-bromo-5-(4-methoxybutyl)pyridine
CID 162151692
5-(azidomethyl)-2-bromopyridine
CID 151178829
(6-bromo-3-pyridinyl)methylhydrazine
CID 53416663
2-bromo-5-(3-chloropropoxy)pyridine
CID 137352816
3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine
CID 130739835
3-(6-bromo-3-pyridinyl)-2-methylpropan-1-ol
CID 87844869
2-bromo-5-[(4-isocyanophenoxy)methyl]pyridine
CID 123177479

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-chloroethyl)pyridine?
The IUPAC name of 2-bromo-5-(2-chloroethyl)pyridine (CID 130116129) is 2-bromo-5-(2-chloroethyl)pyridine.
What is the SMILES notation for 2-bromo-5-(2-chloroethyl)pyridine?
The canonical SMILES for 2-bromo-5-(2-chloroethyl)pyridine is ClCCc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-(2-chloroethyl)pyridine?
The InChIKey is VDJFLSDYZDBGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN/c8-7-2-1-6(3-4-9)5-10-7/h1-2,5H,3-4H2.
What are the key properties of 2-bromo-5-(2-chloroethyl)pyridine?
2-bromo-5-(2-chloroethyl)pyridine has a molecular weight of 220.50 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-chloroethyl)pyridine is sourced from PubChem (CID 130116129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).