2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine

C12H8Cl3NO — CID 54920974

IUPAC2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine
SMILESClc1ccc(COc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C12H8Cl3NO/c13-9-2-1-3-10(14)12(9)17-7-8-4-5-11(15)16-6-8/h1-6H,7H2
InChIKeyBUEKOJAKHVAJIQ-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.62
Rot. Bonds3

About 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine

2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine (PubChem CID 54920974) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine
PubChem CID54920974
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine
SMILESClc1ccc(COc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C12H8Cl3NO/c13-9-2-1-3-10(14)12(9)17-7-8-4-5-11(15)16-6-8/h1-6H,7H2
InChIKeyBUEKOJAKHVAJIQ-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine
CID 103054818
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
2-chloro-5-(pyridin-2-yloxymethyl)pyridine
CID 131560661
2-chloro-5-[(2-iodophenoxy)methyl]pyridine
CID 43428206
(6-chloro-3-pyridinyl)methyl cyanate
CID 171428640
5-[(3-tert-butylphenoxy)methyl]-2-chloropyridine
CID 43351812
4-[(6-chloro-3-pyridinyl)methoxy]aniline
CID 20537895
N-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine
CID 139662853
5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine
CID 63480626
2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine
CID 43245470
5-[(4-tert-butylphenoxy)methyl]-2-chloropyridine
CID 28537518
[5-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58210731

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine (CID 54920974) is 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine is Clc1ccc(COc2c(Cl)cccc2Cl)cn1.
What is the InChIKey of 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine?
The InChIKey is BUEKOJAKHVAJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c13-9-2-1-3-10(14)12(9)17-7-8-4-5-11(15)16-6-8/h1-6H,7H2.
What are the key properties of 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine?
2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine has a molecular weight of 288.56 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine is sourced from PubChem (CID 54920974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).