5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine

C13H18BrNO — CID 104809801

IUPAC5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine
SMILESCC1CCCC(OCc2ccc(Br)cn2)C1
InChIInChI=1S/C13H18BrNO/c1-10-3-2-4-13(7-10)16-9-12-6-5-11(14)8-15-12/h5-6,8,10,13H,2-4,7,9H2,1H3
InChIKeyULVUVOFODSEMHT-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.94
Rot. Bonds3

About 5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine

5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine (PubChem CID 104809801) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine
PubChem CID104809801
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine
SMILESCC1CCCC(OCc2ccc(Br)cn2)C1
InChIInChI=1S/C13H18BrNO/c1-10-3-2-4-13(7-10)16-9-12-6-5-11(14)8-15-12/h5-6,8,10,13H,2-4,7,9H2,1H3
InChIKeyULVUVOFODSEMHT-UHFFFAOYSA-N
XLogP3.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(piperidin-4-yloxymethyl)pyridine
CID 104799559
4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene
CID 63458710
5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine
CID 104797402
trimethyl-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]silane
CID 103438651
[5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
CID 62455722
5-bromo-2-(3-methylcyclopentyl)oxypyridine
CID 67995994
2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 55015654
1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 104801440
methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate
CID 106940607
methyl 3-bromo-4-[(3-methylcyclohexyl)oxymethyl]benzoate
CID 102765436
4-[(3-methylcyclohexyl)oxymethyl]-1,3-thiazole-2-carboxylic acid
CID 43664304
3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline
CID 64768691

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine?
The IUPAC name of 5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine (CID 104809801) is 5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine?
The canonical SMILES for 5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine is CC1CCCC(OCc2ccc(Br)cn2)C1.
What is the InChIKey of 5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine?
The InChIKey is ULVUVOFODSEMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10-3-2-4-13(7-10)16-9-12-6-5-11(14)8-15-12/h5-6,8,10,13H,2-4,7,9H2,1H3.
What are the key properties of 5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine?
5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine has a molecular weight of 284.20 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine is sourced from PubChem (CID 104809801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).