2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine

C13H11Cl2NO — CID 43245470

IUPAC2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine
SMILESCc1ccc(Cl)c(OCc2ccc(Cl)nc2)c1
InChIInChI=1S/C13H11Cl2NO/c1-9-2-4-11(14)12(6-9)17-8-10-3-5-13(15)16-7-10/h2-7H,8H2,1H3
InChIKeyAZJCQOIQVLWUOA-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.28
Rot. Bonds3

About 2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine

2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine (PubChem CID 43245470) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine
PubChem CID43245470
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine
SMILESCc1ccc(Cl)c(OCc2ccc(Cl)nc2)c1
InChIInChI=1S/C13H11Cl2NO/c1-9-2-4-11(14)12(6-9)17-8-10-3-5-13(15)16-7-10/h2-7H,8H2,1H3
InChIKeyAZJCQOIQVLWUOA-UHFFFAOYSA-N
XLogP4.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.28
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

1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62485881
5-[(2-chloro-4-methylphenoxy)methyl]-N-methylpyridin-2-amine
CID 55104810
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 103866434
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
5-(chloromethyl)-2-(2-chloro-5-methylphenoxy)-3-methylpyridine
CID 80628031
2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol
CID 82051885
4-[(2-chloro-5-methylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62466198
2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine
CID 54920974
4-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbothioamide
CID 63883293
4-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 59391367

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine (CID 43245470) is 2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine is Cc1ccc(Cl)c(OCc2ccc(Cl)nc2)c1.
What is the InChIKey of 2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine?
The InChIKey is AZJCQOIQVLWUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-9-2-4-11(14)12(6-9)17-8-10-3-5-13(15)16-7-10/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine?
2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine has a molecular weight of 268.14 g/mol, XLogP of 4.28, 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-chloro-5-methylphenoxy)methyl]pyridine is sourced from PubChem (CID 43245470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).