2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine

C14H19NO2 — CID 70660869

IUPAC2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine
SMILESCOc1cccc(OC2C[C@H]3CC[C@@H](C2)C3)n1
InChIInChI=1S/C14H19NO2/c1-16-13-3-2-4-14(15-13)17-12-8-10-5-6-11(7-10)9-12/h2-4,10-12H,5-9H2,1H3/t10-,11+,12?
InChIKeyMLXHDPQPXYIPGM-FOSCPWQOSA-N
MW233.31 g/mol
LogP3.05
Rot. Bonds3

About 2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine

2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine (PubChem CID 70660869) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine.

Molecular Properties

Compound Name2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine
PubChem CID70660869
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine
SMILESCOc1cccc(OC2C[C@H]3CC[C@@H](C2)C3)n1
InChIInChI=1S/C14H19NO2/c1-16-13-3-2-4-14(15-13)17-12-8-10-5-6-11(7-10)9-12/h2-4,10-12H,5-9H2,1H3/t10-,11+,12?
InChIKeyMLXHDPQPXYIPGM-FOSCPWQOSA-N
XLogP3.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-6-bromopyridine
CID 88878782
(1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
CID 73053571
2-methoxy-6-[(3R)-piperidin-3-yl]oxypyridine
CID 96644678
(E)-but-2-enedioic acid;3-[(6-methoxy-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 66932832
2-[(6-methoxy-2-pyridinyl)oxy]-N-methylcyclohexan-1-amine
CID 102634392
3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane
CID 11695070
(1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
CID 53323531
6-(3,4-dimethylcyclohexyl)oxypyridin-2-amine
CID 80653440
6-cyclopropyloxypyridine-2-carboxylic acid
CID 146463026
2-[(6-methoxy-2-pyridinyl)oxy]ethanol
CID 139263973
N-[[2-(6-methoxy-2-pyridinyl)cyclopropyl]methyl]cyclopropanamine
CID 103348488
2-(6-methoxy-2-pyridinyl)oxan-4-ol
CID 103348636

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine?
The IUPAC name of 2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine (CID 70660869) is 2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine.
What is the SMILES notation for 2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine?
The canonical SMILES for 2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine is COc1cccc(OC2C[C@H]3CC[C@@H](C2)C3)n1.
What is the InChIKey of 2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine?
The InChIKey is MLXHDPQPXYIPGM-FOSCPWQOSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-13-3-2-4-14(15-13)17-12-8-10-5-6-11(7-10)9-12/h2-4,10-12H,5-9H2,1H3/t10-,11+,12?.
What are the key properties of 2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine?
2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine has a molecular weight of 233.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-6-methoxypyridine is sourced from PubChem (CID 70660869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).