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

C14H14BrNO — CID 114870646

IUPAC5-bromo-4-methyl-2-(1-phenylethoxy)pyridine
SMILESCc1cc(OC(C)c2ccccc2)ncc1Br
InChIInChI=1S/C14H14BrNO/c1-10-8-14(16-9-13(10)15)17-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3
InChIKeyUAZLSLJKPNWEMU-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.29
Rot. Bonds3

About 5-bromo-4-methyl-2-(1-phenylethoxy)pyridine

5-bromo-4-methyl-2-(1-phenylethoxy)pyridine (PubChem CID 114870646) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-(1-phenylethoxy)pyridine.

Molecular Properties

Compound Name5-bromo-4-methyl-2-(1-phenylethoxy)pyridine
PubChem CID114870646
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name5-bromo-4-methyl-2-(1-phenylethoxy)pyridine
SMILESCc1cc(OC(C)c2ccccc2)ncc1Br
InChIInChI=1S/C14H14BrNO/c1-10-8-14(16-9-13(10)15)17-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3
InChIKeyUAZLSLJKPNWEMU-UHFFFAOYSA-N
XLogP4.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-(1-phenylethoxy)pyridine?
The IUPAC name of 5-bromo-4-methyl-2-(1-phenylethoxy)pyridine (CID 114870646) is 5-bromo-4-methyl-2-(1-phenylethoxy)pyridine.
What is the SMILES notation for 5-bromo-4-methyl-2-(1-phenylethoxy)pyridine?
The canonical SMILES for 5-bromo-4-methyl-2-(1-phenylethoxy)pyridine is Cc1cc(OC(C)c2ccccc2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-2-(1-phenylethoxy)pyridine?
The InChIKey is UAZLSLJKPNWEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10-8-14(16-9-13(10)15)17-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3.
What are the key properties of 5-bromo-4-methyl-2-(1-phenylethoxy)pyridine?
5-bromo-4-methyl-2-(1-phenylethoxy)pyridine has a molecular weight of 292.18 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-(1-phenylethoxy)pyridine is sourced from PubChem (CID 114870646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).