5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine

C13H12BrClN2O — CID 62001343

IUPAC5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine
SMILESClCc1cc(Br)cnc1OCCc1ccccn1
InChIInChI=1S/C13H12BrClN2O/c14-11-7-10(8-15)13(17-9-11)18-6-4-12-3-1-2-5-16-12/h1-3,5,7,9H,4,6,8H2
InChIKeyHCKFQMWQSLLZHS-UHFFFAOYSA-N
MW327.61 g/mol
LogP3.60
Rot. Bonds5

About 5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine

5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine (PubChem CID 62001343) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine
PubChem CID62001343
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine
SMILESClCc1cc(Br)cnc1OCCc1ccccn1
InChIInChI=1S/C13H12BrClN2O/c14-11-7-10(8-15)13(17-9-11)18-6-4-12-3-1-2-5-16-12/h1-3,5,7,9H,4,6,8H2
InChIKeyHCKFQMWQSLLZHS-UHFFFAOYSA-N
XLogP3.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-bromo-2-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62290065
5-bromo-4-(2-pyridin-2-ylethoxy)pyrimidine
CID 66320696
2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine
CID 60892629
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine
CID 55148109
[5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol
CID 112620933
2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine
CID 112621371
5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine
CID 82006550
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine
CID 60891835
[5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine
CID 62322458
2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine
CID 54970606
3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine
CID 61269892
5-bromo-2-chloro-3-(chloromethyl)pyridine
CID 42544310

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine?
The IUPAC name of 5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine (CID 62001343) is 5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine?
The canonical SMILES for 5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine is ClCc1cc(Br)cnc1OCCc1ccccn1.
What is the InChIKey of 5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine?
The InChIKey is HCKFQMWQSLLZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c14-11-7-10(8-15)13(17-9-11)18-6-4-12-3-1-2-5-16-12/h1-3,5,7,9H,4,6,8H2.
What are the key properties of 5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine?
5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine has a molecular weight of 327.61 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine is sourced from PubChem (CID 62001343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).