3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine

C14H13BrClNO — CID 55167870

IUPAC3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine
SMILESClCc1cc(Br)ccc1OCCc1cccnc1
InChIInChI=1S/C14H13BrClNO/c15-13-3-4-14(12(8-13)9-16)18-7-5-11-2-1-6-17-10-11/h1-4,6,8,10H,5,7,9H2
InChIKeyCFQXWVFDRXDRRC-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.20
Rot. Bonds5

About 3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine

3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine (PubChem CID 55167870) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine.

Molecular Properties

Compound Name3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine
PubChem CID55167870
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine
SMILESClCc1cc(Br)ccc1OCCc1cccnc1
InChIInChI=1S/C14H13BrClNO/c15-13-3-4-14(12(8-13)9-16)18-7-5-11-2-1-6-17-10-11/h1-4,6,8,10H,5,7,9H2
InChIKeyCFQXWVFDRXDRRC-UHFFFAOYSA-N
XLogP4.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-bromo-2-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-1-amine
CID 63264975
1-[4-bromo-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 102946417
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
2-(3-bromophenyl)sulfanyl-3-(2-pyridin-3-ylethoxy)pyridine
CID 15895870
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine
CID 107696406
[5-bromo-2-(2-phenylethoxy)phenyl]methanamine
CID 28981744
2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine
CID 23506266
5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde
CID 63262865
4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene
CID 102939906
4-chloro-2-(2-pyridin-3-ylethoxy)aniline
CID 63264708
2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 115962668

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine?
The IUPAC name of 3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine (CID 55167870) is 3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine.
What is the SMILES notation for 3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine?
The canonical SMILES for 3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine is ClCc1cc(Br)ccc1OCCc1cccnc1.
What is the InChIKey of 3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine?
The InChIKey is CFQXWVFDRXDRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-13-3-4-14(12(8-13)9-16)18-7-5-11-2-1-6-17-10-11/h1-4,6,8,10H,5,7,9H2.
What are the key properties of 3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine?
3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine has a molecular weight of 326.62 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine is sourced from PubChem (CID 55167870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).