3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine

C14H13Cl2NO2 — CID 62892935

IUPAC3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine
SMILESCCOc1ccc(OCc2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO2/c1-2-18-10-3-5-11(6-4-10)19-9-13-12(15)7-8-14(16)17-13/h3-8H,2,9H2,1H3
InChIKeySIDBASUVQRKHLS-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.37
Rot. Bonds5

About 3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine

3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine (PubChem CID 62892935) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine
PubChem CID62892935
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine
SMILESCCOc1ccc(OCc2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO2/c1-2-18-10-3-5-11(6-4-10)19-9-13-12(15)7-8-14(16)17-13/h3-8H,2,9H2,1H3
InChIKeySIDBASUVQRKHLS-UHFFFAOYSA-N
XLogP4.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine
CID 55127453
2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol
CID 104743978
methyl 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzoate
CID 59756933
3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine
CID 62887008
4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide
CID 55127310
5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine
CID 62887232
2-chloro-6-[(4-ethoxyphenoxy)methyl]pyridine
CID 79240758
5-chloro-6-[(4-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62885465
5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine
CID 55127794
5-chloro-N-ethyl-6-[(4-fluorophenoxy)methyl]pyridin-2-amine
CID 62885461
3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 104693556
2-chloro-5-(4-ethoxyphenyl)pyridine
CID 19765548

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine?
The IUPAC name of 3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine (CID 62892935) is 3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine.
What is the SMILES notation for 3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine?
The canonical SMILES for 3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine is CCOc1ccc(OCc2nc(Cl)ccc2Cl)cc1.
What is the InChIKey of 3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine?
The InChIKey is SIDBASUVQRKHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-2-18-10-3-5-11(6-4-10)19-9-13-12(15)7-8-14(16)17-13/h3-8H,2,9H2,1H3.
What are the key properties of 3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine?
3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine has a molecular weight of 298.17 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine is sourced from PubChem (CID 62892935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).