3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine

C12H7Cl4NO — CID 63446768

IUPAC3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine
SMILESClCc1nc(Oc2ccc(Cl)c(Cl)c2)ccc1Cl
InChIInChI=1S/C12H7Cl4NO/c13-6-11-9(15)3-4-12(17-11)18-7-1-2-8(14)10(16)5-7/h1-5H,6H2
InChIKeyUJZYGDHVDFOXHE-UHFFFAOYSA-N
MW323.01 g/mol
LogP5.57
Rot. Bonds3

About 3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine

3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine (PubChem CID 63446768) has the molecular formula C12H7Cl4NO and a molecular weight of 323.01 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine
PubChem CID63446768
Molecular FormulaC12H7Cl4NO
Molecular Weight323.01 g/mol
Exact Mass320.93
IUPAC Name3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine
SMILESClCc1nc(Oc2ccc(Cl)c(Cl)c2)ccc1Cl
InChIInChI=1S/C12H7Cl4NO/c13-6-11-9(15)3-4-12(17-11)18-7-1-2-8(14)10(16)5-7/h1-5H,6H2
InChIKeyUJZYGDHVDFOXHE-UHFFFAOYSA-N
XLogP5.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.01
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3-tert-butylphenoxy)-3-chloro-2-(chloromethyl)pyridine
CID 63446809
[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 63879706
3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine
CID 116793288
[6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine
CID 62322079
3-chloro-2-(chloromethyl)-6-(2-fluorophenoxy)pyridine
CID 61267319
1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene
CID 63568031
3-chloro-2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine
CID 81346162
3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine
CID 61267668
3-chloro-2-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridine
CID 63446192
3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine
CID 106597658
[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol
CID 61257718
[6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine
CID 62297582

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine (CID 63446768) is 3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine is ClCc1nc(Oc2ccc(Cl)c(Cl)c2)ccc1Cl.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine?
The InChIKey is UJZYGDHVDFOXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4NO/c13-6-11-9(15)3-4-12(17-11)18-7-1-2-8(14)10(16)5-7/h1-5H,6H2.
What are the key properties of 3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine?
3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine has a molecular weight of 323.01 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine is sourced from PubChem (CID 63446768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).