3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine

C12H16Cl2N2O — CID 102965992

IUPAC3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine
SMILESCOC1CCCN(c2ccc(Cl)c(CCl)n2)C1
InChIInChI=1S/C12H16Cl2N2O/c1-17-9-3-2-6-16(8-9)12-5-4-10(14)11(7-13)15-12/h4-5,9H,2-3,6-8H2,1H3
InChIKeyMTQXFHFDQZFOBR-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.09
Rot. Bonds3

About 3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine

3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine (PubChem CID 102965992) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine
PubChem CID102965992
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine
SMILESCOC1CCCN(c2ccc(Cl)c(CCl)n2)C1
InChIInChI=1S/C12H16Cl2N2O/c1-17-9-3-2-6-16(8-9)12-5-4-10(14)11(7-13)15-12/h4-5,9H,2-3,6-8H2,1H3
InChIKeyMTQXFHFDQZFOBR-UHFFFAOYSA-N
XLogP3.09
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.09
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 3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine (CID 102965992) is 3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine is COC1CCCN(c2ccc(Cl)c(CCl)n2)C1.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine?
The InChIKey is MTQXFHFDQZFOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-17-9-3-2-6-16(8-9)12-5-4-10(14)11(7-13)15-12/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine?
3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine has a molecular weight of 275.18 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine is sourced from PubChem (CID 102965992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).