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

C12H16BrNO — CID 61373555

IUPAC3-bromo-2-(4-methylcyclohexyl)oxypyridine
SMILESCC1CCC(Oc2ncccc2Br)CC1
InChIInChI=1S/C12H16BrNO/c1-9-4-6-10(7-5-9)15-12-11(13)3-2-8-14-12/h2-3,8-10H,4-7H2,1H3
InChIKeyTVJBIKHAEIYWSW-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.80
Rot. Bonds2

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

3-bromo-2-(4-methylcyclohexyl)oxypyridine (PubChem CID 61373555) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-bromo-2-(4-methylcyclohexyl)oxypyridine.

Molecular Properties

Compound Name3-bromo-2-(4-methylcyclohexyl)oxypyridine
PubChem CID61373555
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-bromo-2-(4-methylcyclohexyl)oxypyridine
SMILESCC1CCC(Oc2ncccc2Br)CC1
InChIInChI=1S/C12H16BrNO/c1-9-4-6-10(7-5-9)15-12-11(13)3-2-8-14-12/h2-3,8-10H,4-7H2,1H3
InChIKeyTVJBIKHAEIYWSW-UHFFFAOYSA-N
XLogP3.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(3-methylcyclobutyl)oxypyridine
CID 122580795
4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine
CID 126955057
2-(azetidin-3-yloxy)-3-bromopyridine
CID 58547749
3-bromo-2-(thiolan-3-yloxy)pyridine
CID 126955056
3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 94406855
N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine
CID 62290124
2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride
CID 112572932
3-bromo-5-methyl-2-(4-methylcyclohexyl)oxypyridine
CID 105368228
N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide
CID 24699534
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 71799453
1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]but-2-en-1-one
CID 91939329
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone
CID 122249860

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-methylcyclohexyl)oxypyridine?
The IUPAC name of 3-bromo-2-(4-methylcyclohexyl)oxypyridine (CID 61373555) is 3-bromo-2-(4-methylcyclohexyl)oxypyridine.
What is the SMILES notation for 3-bromo-2-(4-methylcyclohexyl)oxypyridine?
The canonical SMILES for 3-bromo-2-(4-methylcyclohexyl)oxypyridine is CC1CCC(Oc2ncccc2Br)CC1.
What is the InChIKey of 3-bromo-2-(4-methylcyclohexyl)oxypyridine?
The InChIKey is TVJBIKHAEIYWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9-4-6-10(7-5-9)15-12-11(13)3-2-8-14-12/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 3-bromo-2-(4-methylcyclohexyl)oxypyridine?
3-bromo-2-(4-methylcyclohexyl)oxypyridine has a molecular weight of 270.17 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-methylcyclohexyl)oxypyridine is sourced from PubChem (CID 61373555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).