5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine

C12H16ClN3O — CID 66371184

IUPAC5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine
SMILESNc1ccc(Cl)c(CN2CC3CCC(C2)O3)n1
InChIInChI=1S/C12H16ClN3O/c13-10-3-4-12(14)15-11(10)7-16-5-8-1-2-9(6-16)17-8/h3-4,8-9H,1-2,5-7H2,(H2,14,15)
InChIKeyXNNJGHJGKGRORB-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.68
Rot. Bonds2

About 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine

5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine (PubChem CID 66371184) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine
PubChem CID66371184
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine
SMILESNc1ccc(Cl)c(CN2CC3CCC(C2)O3)n1
InChIInChI=1S/C12H16ClN3O/c13-10-3-4-12(14)15-11(10)7-16-5-8-1-2-9(6-16)17-8/h3-4,8-9H,1-2,5-7H2,(H2,14,15)
InChIKeyXNNJGHJGKGRORB-UHFFFAOYSA-N
XLogP1.68
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine with MolForge

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Related Compounds

(2R)-4-(5-chloro-6-methyl-2-pyridinyl)-2-cyclopropylmorpholine
CID 164639388
6-Chloro-2-(4-morpholinyl)-3-pyridinamine
CID 79020142
5-Chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-3-amine
CID 108155582
5-(6-Chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 131183728
5-Chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine
CID 139405275
6-Chloro-N-((tetrahydrofuran-2-yl)methyl)pyridin-2-amine
CID 53410286
3-Chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine
CID 54990291
3-Chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine
CID 54990390
6-(aminomethyl)-5-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine
CID 55054544
[3-Chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine
CID 55054545
[3-Chloro-6-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine
CID 55054591
N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine
CID 55054611

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine (CID 66371184) is 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine is Nc1ccc(Cl)c(CN2CC3CCC(C2)O3)n1.
What is the InChIKey of 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine?
The InChIKey is XNNJGHJGKGRORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-10-3-4-12(14)15-11(10)7-16-5-8-1-2-9(6-16)17-8/h3-4,8-9H,1-2,5-7H2,(H2,14,15).
What are the key properties of 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine?
5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine has a molecular weight of 253.73 g/mol, XLogP of 1.68, 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-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 66371184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).