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

C10H12Cl2N2O — CID 130548172

IUPAC3-chloro-2-(chloromethyl)-6-(3-methoxyazetidin-1-yl)pyridine
SMILESCOC1CN(c2ccc(Cl)c(CCl)n2)C1
InChIInChI=1S/C10H12Cl2N2O/c1-15-7-5-14(6-7)10-3-2-8(12)9(4-11)13-10/h2-3,7H,4-6H2,1H3
InChIKeyDYUHXTLQFPQLCV-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.31
Rot. Bonds3

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

3-chloro-2-(chloromethyl)-6-(3-methoxyazetidin-1-yl)pyridine (PubChem CID 130548172) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-(3-methoxyazetidin-1-yl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-(3-methoxyazetidin-1-yl)pyridine
PubChem CID130548172
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name3-chloro-2-(chloromethyl)-6-(3-methoxyazetidin-1-yl)pyridine
SMILESCOC1CN(c2ccc(Cl)c(CCl)n2)C1
InChIInChI=1S/C10H12Cl2N2O/c1-15-7-5-14(6-7)10-3-2-8(12)9(4-11)13-10/h2-3,7H,4-6H2,1H3
InChIKeyDYUHXTLQFPQLCV-UHFFFAOYSA-N
XLogP2.31
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.31
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-methoxypiperidin-1-yl)pyridine
CID 102965992
3-chloro-2-(chloromethyl)-6-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 63972353
N-[[3-chloro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103539397
3-chloro-2-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)pyridine
CID 107394378
6-[5-chloro-6-(chloromethyl)-2-pyridinyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199801
2-[5-chloro-6-(chloromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943277
1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 62943778
N-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62279963
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol
CID 82691588
[5-chloro-2-(3-methoxyazetidin-1-yl)-4-pyridinyl]methanol
CID 167434559
[3-chloro-6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]methanamine
CID 62285664
3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine
CID 61256214

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-6-(3-methoxyazetidin-1-yl)pyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-(3-methoxyazetidin-1-yl)pyridine (CID 130548172) is 3-chloro-2-(chloromethyl)-6-(3-methoxyazetidin-1-yl)pyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-(3-methoxyazetidin-1-yl)pyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-(3-methoxyazetidin-1-yl)pyridine is COC1CN(c2ccc(Cl)c(CCl)n2)C1.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-(3-methoxyazetidin-1-yl)pyridine?
The InChIKey is DYUHXTLQFPQLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-15-7-5-14(6-7)10-3-2-8(12)9(4-11)13-10/h2-3,7H,4-6H2,1H3.
What are the key properties of 3-chloro-2-(chloromethyl)-6-(3-methoxyazetidin-1-yl)pyridine?
3-chloro-2-(chloromethyl)-6-(3-methoxyazetidin-1-yl)pyridine has a molecular weight of 247.12 g/mol, XLogP of 2.31, 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-methoxyazetidin-1-yl)pyridine is sourced from PubChem (CID 130548172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).