5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine

C12H8Cl2INO — CID 114921271

IUPAC5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine
SMILESClCc1cc(Oc2cccc(I)c2)ncc1Cl
InChIInChI=1S/C12H8Cl2INO/c13-6-8-4-12(16-7-11(8)14)17-10-3-1-2-9(15)5-10/h1-5,7H,6H2
InChIKeyDYXDMRIGEYDFJE-UHFFFAOYSA-N
MW380.01 g/mol
LogP4.87
Rot. Bonds3

About 5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine

5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine (PubChem CID 114921271) has the molecular formula C12H8Cl2INO and a molecular weight of 380.01 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine
PubChem CID114921271
Molecular FormulaC12H8Cl2INO
Molecular Weight380.01 g/mol
Exact Mass378.90
IUPAC Name5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine
SMILESClCc1cc(Oc2cccc(I)c2)ncc1Cl
InChIInChI=1S/C12H8Cl2INO/c13-6-8-4-12(16-7-11(8)14)17-10-3-1-2-9(15)5-10/h1-5,7H,6H2
InChIKeyDYXDMRIGEYDFJE-UHFFFAOYSA-N
XLogP4.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.01
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine
CID 114921279
3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 107387690
5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine
CID 114921193
5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
CID 114921355
2-(chloromethyl)-6-(3-iodophenoxy)pyrazine
CID 66467349
1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928186
8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 114921266
[2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine
CID 114928474
2-(3-iodophenoxy)pyrazine
CID 60644113
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
[5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol
CID 61255474
1-(chloromethyl)-3-(3-iodophenoxy)benzene
CID 112594493

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine?
The IUPAC name of 5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine (CID 114921271) is 5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine is ClCc1cc(Oc2cccc(I)c2)ncc1Cl.
What is the InChIKey of 5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine?
The InChIKey is DYXDMRIGEYDFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2INO/c13-6-8-4-12(16-7-11(8)14)17-10-3-1-2-9(15)5-10/h1-5,7H,6H2.
What are the key properties of 5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine?
5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine has a molecular weight of 380.01 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine is sourced from PubChem (CID 114921271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).