2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine

C12H17Cl2NO3 — CID 106994670

IUPAC2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine
SMILESCOCCCOCCOCc1ccc(Cl)nc1Cl
InChIInChI=1S/C12H17Cl2NO3/c1-16-5-2-6-17-7-8-18-9-10-3-4-11(13)15-12(10)14/h3-4H,2,5-9H2,1H3
InChIKeyPOBOWYNUZILBCO-UHFFFAOYSA-N
MW294.18 g/mol
LogP2.96
Rot. Bonds9

About 2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine

2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine (PubChem CID 106994670) has the molecular formula C12H17Cl2NO3 and a molecular weight of 294.18 g/mol. Its IUPAC name is 2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine
PubChem CID106994670
Molecular FormulaC12H17Cl2NO3
Molecular Weight294.18 g/mol
Exact Mass293.06
IUPAC Name2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine
SMILESCOCCCOCCOCc1ccc(Cl)nc1Cl
InChIInChI=1S/C12H17Cl2NO3/c1-16-5-2-6-17-7-8-18-9-10-3-4-11(13)15-12(10)14/h3-4H,2,5-9H2,1H3
InChIKeyPOBOWYNUZILBCO-UHFFFAOYSA-N
XLogP2.96
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine
CID 106994651
2,6-dichloro-3-(octoxymethyl)pyridine
CID 106994491
2,6-dichloro-3-(2-propan-2-yloxyethoxymethyl)pyridine
CID 106994443
3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine
CID 103177400
2,6-dichloro-3-(1-methoxypropan-2-yloxymethyl)pyridine
CID 106994598
3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate
CID 106994631
2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine
CID 103177429
3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine
CID 104561220
2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103177517
3-chloro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid
CID 103175941
[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103177032
5-chloro-6-(3-methoxypropoxymethyl)pyridin-2-amine
CID 62886850

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine?
The IUPAC name of 2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine (CID 106994670) is 2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine is COCCCOCCOCc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine?
The InChIKey is POBOWYNUZILBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO3/c1-16-5-2-6-17-7-8-18-9-10-3-4-11(13)15-12(10)14/h3-4H,2,5-9H2,1H3.
What are the key properties of 2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine?
2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine has a molecular weight of 294.18 g/mol, XLogP of 2.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine is sourced from PubChem (CID 106994670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).