3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane

C12H15ClN2O — CID 66370754

IUPAC3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESClCc1ccnc(N2CC3CCC(C2)O3)c1
InChIInChI=1S/C12H15ClN2O/c13-6-9-3-4-14-12(5-9)15-7-10-1-2-11(8-15)16-10/h3-5,10-11H,1-2,6-8H2
InChIKeyRHFQOWDSYWTVHI-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.19
Rot. Bonds2

About 3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane

3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66370754) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66370754
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESClCc1ccnc(N2CC3CCC(C2)O3)c1
InChIInChI=1S/C12H15ClN2O/c13-6-9-3-4-14-12(5-9)15-7-10-1-2-11(8-15)16-10/h3-5,10-11H,1-2,6-8H2
InChIKeyRHFQOWDSYWTVHI-UHFFFAOYSA-N
XLogP2.19
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
CID 104959964
3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 164926889
1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine
CID 61445466
2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine
CID 62091611
3-[4-(chloromethyl)-2-fluorophenyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66393290
4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 102965947
4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61257242
3-[4-(chloromethyl)-2,6-difluorophenyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66393291
N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine
CID 80851519
[2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol
CID 113380521
[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol
CID 66369773
3-(6-chloro-2-ethylpyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 80936821

Frequently Asked Questions

What is the IUPAC name of 3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 66370754) is 3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane is ClCc1ccnc(N2CC3CCC(C2)O3)c1.
What is the InChIKey of 3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is RHFQOWDSYWTVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-6-9-3-4-14-12(5-9)15-7-10-1-2-11(8-15)16-10/h3-5,10-11H,1-2,6-8H2.
What are the key properties of 3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 238.72 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66370754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).