[5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol

C12H15ClN2O2 — CID 66370552

IUPAC[5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol
SMILESOCc1cnc(N2CC3CCC(C2)O3)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c13-11-3-8(7-16)4-14-12(11)15-5-9-1-2-10(6-15)17-9/h3-4,9-10,16H,1-2,5-7H2
InChIKeyMXJRJTFLGMUCJU-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.59
Rot. Bonds2

About [5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol

[5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol (PubChem CID 66370552) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is [5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol
PubChem CID66370552
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name[5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol
SMILESOCc1cnc(N2CC3CCC(C2)O3)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c13-11-3-8(7-16)4-14-12(11)15-5-9-1-2-10(6-15)17-9/h3-4,9-10,16H,1-2,5-7H2
InChIKeyMXJRJTFLGMUCJU-UHFFFAOYSA-N
XLogP1.59
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol with MolForge

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Related Compounds

[5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 79183709
[6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol
CID 62091450
[5-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]methanol
CID 63633970
4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 123796335
[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanol
CID 114412388
[1-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 116637093
[2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol
CID 113380521
[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol
CID 104691283
[5-methyl-6-(3-methylazetidin-1-yl)-3-pyridinyl]methanol
CID 164658279
[5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol
CID 61348282
[5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62300014
[5-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]methanol
CID 61252229

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol (CID 66370552) is [5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol is OCc1cnc(N2CC3CCC(C2)O3)c(Cl)c1.
What is the InChIKey of [5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol?
The InChIKey is MXJRJTFLGMUCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-11-3-8(7-16)4-14-12(11)15-5-9-1-2-10(6-15)17-9/h3-4,9-10,16H,1-2,5-7H2.
What are the key properties of [5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol?
[5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol has a molecular weight of 254.72 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 66370552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).