2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine

C14H20BrNO — CID 79169878

IUPAC2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine
SMILESCc1ccc(OC2CCCC(C)C2)c(CBr)n1
InChIInChI=1S/C14H20BrNO/c1-10-4-3-5-12(8-10)17-14-7-6-11(2)16-13(14)9-15/h6-7,10,12H,3-5,8-9H2,1-2H3
InChIKeyORQWRWZXPJFTOW-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.24
Rot. Bonds3

About 2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine

2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine (PubChem CID 79169878) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine
PubChem CID79169878
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine
SMILESCc1ccc(OC2CCCC(C)C2)c(CBr)n1
InChIInChI=1S/C14H20BrNO/c1-10-4-3-5-12(8-10)17-14-7-6-11(2)16-13(14)9-15/h6-7,10,12H,3-5,8-9H2,1-2H3
InChIKeyORQWRWZXPJFTOW-UHFFFAOYSA-N
XLogP4.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine?
The IUPAC name of 2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine (CID 79169878) is 2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine.
What is the SMILES notation for 2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine?
The canonical SMILES for 2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine is Cc1ccc(OC2CCCC(C)C2)c(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine?
The InChIKey is ORQWRWZXPJFTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-4-3-5-12(8-10)17-14-7-6-11(2)16-13(14)9-15/h6-7,10,12H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine?
2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine has a molecular weight of 298.22 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine is sourced from PubChem (CID 79169878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).