2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone

C15H19ClN2O2 — CID 146404964

IUPAC2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESCc1cccnc1OC1CC2CCC(C1)N2C(=O)CCl
InChIInChI=1S/C15H19ClN2O2/c1-10-3-2-6-17-15(10)20-13-7-11-4-5-12(8-13)18(11)14(19)9-16/h2-3,6,11-13H,4-5,7-9H2,1H3
InChIKeyXVANEWQQYDDZGJ-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.53
Rot. Bonds3

About 2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone

2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone (PubChem CID 146404964) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone
PubChem CID146404964
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESCc1cccnc1OC1CC2CCC(C1)N2C(=O)CCl
InChIInChI=1S/C15H19ClN2O2/c1-10-3-2-6-17-15(10)20-13-7-11-4-5-12(8-13)18(11)14(19)9-16/h2-3,6,11-13H,4-5,7-9H2,1H3
InChIKeyXVANEWQQYDDZGJ-UHFFFAOYSA-N
XLogP2.53
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The IUPAC name of 2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone (CID 146404964) is 2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The canonical SMILES for 2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone is Cc1cccnc1OC1CC2CCC(C1)N2C(=O)CCl.
What is the InChIKey of 2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The InChIKey is XVANEWQQYDDZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10-3-2-6-17-15(10)20-13-7-11-4-5-12(8-13)18(11)14(19)9-16/h2-3,6,11-13H,4-5,7-9H2,1H3.
What are the key properties of 2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone has a molecular weight of 294.78 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone is sourced from PubChem (CID 146404964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).