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

C12H8Cl3NO — CID 61268068

IUPAC3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine
SMILESClCc1cccnc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3NO/c13-7-8-2-1-5-16-12(8)17-11-4-3-9(14)6-10(11)15/h1-6H,7H2
InChIKeyQCUCXZMFZSKNMI-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.92
Rot. Bonds3

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

3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine (PubChem CID 61268068) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine
PubChem CID61268068
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine
SMILESClCc1cccnc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3NO/c13-7-8-2-1-5-16-12(8)17-11-4-3-9(14)6-10(11)15/h1-6H,7H2
InChIKeyQCUCXZMFZSKNMI-UHFFFAOYSA-N
XLogP4.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.56
LogP ≤ 54.92
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

2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine
CID 114267909
N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323935
3-(chloromethyl)-2-(3-chlorophenoxy)pyridine
CID 61267697
4-(chloromethyl)-1-(2,4-dichlorophenoxy)isoquinoline
CID 106769528
2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride
CID 170944074
3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine
CID 114847144
[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine
CID 43528666
2-[[2-(2,4-dichlorophenoxy)pyridine-3-carbonyl]-methylamino]acetic acid
CID 99697568
3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine
CID 61268632
N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323963
[4-chloro-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323941
N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine
CID 62297762

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine (CID 61268068) is 3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine is ClCc1cccnc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine?
The InChIKey is QCUCXZMFZSKNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c13-7-8-2-1-5-16-12(8)17-11-4-3-9(14)6-10(11)15/h1-6H,7H2.
What are the key properties of 3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine?
3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine has a molecular weight of 288.56 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine is sourced from PubChem (CID 61268068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).