3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine

C13H18BrNO — CID 105368228

IUPAC3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine
SMILESCc1cnc(OC2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C13H18BrNO/c1-9-3-5-11(6-4-9)16-13-12(14)7-10(2)8-15-13/h7-9,11H,3-6H2,1-2H3
InChIKeyAUKHSBBDEFRKDB-UHFFFAOYSA-N
MW284.20 g/mol
LogP4.11
Rot. Bonds2

About 3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine

3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine (PubChem CID 105368228) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine.

Molecular Properties

Compound Name3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine
PubChem CID105368228
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine
SMILESCc1cnc(OC2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C13H18BrNO/c1-9-3-5-11(6-4-9)16-13-12(14)7-10(2)8-15-13/h7-9,11H,3-6H2,1-2H3
InChIKeyAUKHSBBDEFRKDB-UHFFFAOYSA-N
XLogP4.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine?
The IUPAC name of 3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine (CID 105368228) is 3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine.
What is the SMILES notation for 3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine?
The canonical SMILES for 3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine is Cc1cnc(OC2CCC(C)CC2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine?
The InChIKey is AUKHSBBDEFRKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-3-5-11(6-4-9)16-13-12(14)7-10(2)8-15-13/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine?
3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine has a molecular weight of 284.20 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine is sourced from PubChem (CID 105368228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).