4-bromo-2-(1-phenylethoxy)pyridine

C13H12BrNO — CID 170431674

IUPAC4-bromo-2-(1-phenylethoxy)pyridine
SMILESCC(Oc1cc(Br)ccn1)c1ccccc1
InChIInChI=1S/C13H12BrNO/c1-10(11-5-3-2-4-6-11)16-13-9-12(14)7-8-15-13/h2-10H,1H3
InChIKeyOHPWSVGSPFCBPX-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.98
Rot. Bonds3

About 4-bromo-2-(1-phenylethoxy)pyridine

4-bromo-2-(1-phenylethoxy)pyridine (PubChem CID 170431674) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-bromo-2-(1-phenylethoxy)pyridine.

Molecular Properties

Compound Name4-bromo-2-(1-phenylethoxy)pyridine
PubChem CID170431674
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name4-bromo-2-(1-phenylethoxy)pyridine
SMILESCC(Oc1cc(Br)ccn1)c1ccccc1
InChIInChI=1S/C13H12BrNO/c1-10(11-5-3-2-4-6-11)16-13-9-12(14)7-8-15-13/h2-10H,1H3
InChIKeyOHPWSVGSPFCBPX-UHFFFAOYSA-N
XLogP3.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-phenylethoxy)-4-pyridinyl]methanol
CID 61256752
[2-(1-phenylethoxy)-4-pyridinyl]methanamine
CID 18071091
5-bromo-4-methyl-2-(1-phenylethoxy)pyridine
CID 114870646
5-bromo-2-(1-phenylethoxy)pyrimidine
CID 63867238
4-chloro-6-(1-phenylethoxy)pyrimidine
CID 61279152
4-bromo-2-hexan-3-yloxypyridine
CID 123576746
4-methyl-2-(1-pyridin-4-ylethoxy)pyridine
CID 126954932
5-amino-2-(1-phenylethoxy)pyridine-4-carboxamide
CID 114090660
4-bromo-2-ethoxypyridine
CID 2762557
1-[4-bromo-2-(1-phenylethoxy)phenyl]ethanol
CID 102948374
4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine
CID 62483949
5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide
CID 114892713

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-phenylethoxy)pyridine?
The IUPAC name of 4-bromo-2-(1-phenylethoxy)pyridine (CID 170431674) is 4-bromo-2-(1-phenylethoxy)pyridine.
What is the SMILES notation for 4-bromo-2-(1-phenylethoxy)pyridine?
The canonical SMILES for 4-bromo-2-(1-phenylethoxy)pyridine is CC(Oc1cc(Br)ccn1)c1ccccc1.
What is the InChIKey of 4-bromo-2-(1-phenylethoxy)pyridine?
The InChIKey is OHPWSVGSPFCBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-10(11-5-3-2-4-6-11)16-13-9-12(14)7-8-15-13/h2-10H,1H3.
What are the key properties of 4-bromo-2-(1-phenylethoxy)pyridine?
4-bromo-2-(1-phenylethoxy)pyridine has a molecular weight of 278.15 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-phenylethoxy)pyridine is sourced from PubChem (CID 170431674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).