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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Related Compounds

3-chloro-2-(chloromethyl)-6-(3-methoxyazetidin-1-yl)pyridine
CID 130548172
N-[[3-chloro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103539397
2-[5-chloro-6-(chloromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943277
6-[5-chloro-6-(chloromethyl)-2-pyridinyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199801
3-chloro-2-(chloromethyl)-6-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 63972353
6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine
CID 102955729
3-chloro-2-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)pyridine
CID 107394378
1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine
CID 106589169
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228582
4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine
CID 102963287
N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine
CID 102971487
6-[(3S)-3-methoxypiperidin-1-yl]pyridin-3-amine
CID 129395792

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).