3-bromo-2-(cyclohexylmethyl)-5-methylpyridine

C13H18BrN — CID 83920300

IUPAC3-bromo-2-(cyclohexylmethyl)-5-methylpyridine
SMILESCc1cnc(CC2CCCCC2)c(Br)c1
InChIInChI=1S/C13H18BrN/c1-10-7-12(14)13(15-9-10)8-11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3
InChIKeyMASQAFOIZYMAHY-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.28
Rot. Bonds2

About 3-bromo-2-(cyclohexylmethyl)-5-methylpyridine

3-bromo-2-(cyclohexylmethyl)-5-methylpyridine (PubChem CID 83920300) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 3-bromo-2-(cyclohexylmethyl)-5-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(cyclohexylmethyl)-5-methylpyridine
PubChem CID83920300
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name3-bromo-2-(cyclohexylmethyl)-5-methylpyridine
SMILESCc1cnc(CC2CCCCC2)c(Br)c1
InChIInChI=1S/C13H18BrN/c1-10-7-12(14)13(15-9-10)8-11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3
InChIKeyMASQAFOIZYMAHY-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine
CID 83920354
4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole
CID 175049382
3-bromo-N-cyclohexyl-N,5-dimethylpyridin-2-amine
CID 105367626
3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine
CID 105366898
3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
CID 105366896
1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane
CID 105367961
2-[3-bromo-4-(cyclohexylmethoxy)phenyl]-5-methylpyrimidine
CID 173349884
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 105367514
1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene
CID 59821631
5-bromo-2-(cyclopentylmethoxy)-4-methylpyridine
CID 114870777
[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 105367527

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(cyclohexylmethyl)-5-methylpyridine?
The IUPAC name of 3-bromo-2-(cyclohexylmethyl)-5-methylpyridine (CID 83920300) is 3-bromo-2-(cyclohexylmethyl)-5-methylpyridine.
What is the SMILES notation for 3-bromo-2-(cyclohexylmethyl)-5-methylpyridine?
The canonical SMILES for 3-bromo-2-(cyclohexylmethyl)-5-methylpyridine is Cc1cnc(CC2CCCCC2)c(Br)c1.
What is the InChIKey of 3-bromo-2-(cyclohexylmethyl)-5-methylpyridine?
The InChIKey is MASQAFOIZYMAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-10-7-12(14)13(15-9-10)8-11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3.
What are the key properties of 3-bromo-2-(cyclohexylmethyl)-5-methylpyridine?
3-bromo-2-(cyclohexylmethyl)-5-methylpyridine has a molecular weight of 268.20 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(cyclohexylmethyl)-5-methylpyridine is sourced from PubChem (CID 83920300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).