2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine

C11H16ClNO3 — CID 103177517

IUPAC2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine
SMILESCOCCCOCCOc1cccc(Cl)n1
InChIInChI=1S/C11H16ClNO3/c1-14-6-3-7-15-8-9-16-11-5-2-4-10(12)13-11/h2,4-5H,3,6-9H2,1H3
InChIKeyYDPNVJCKSWRADB-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.17
Rot. Bonds8

About 2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine

2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine (PubChem CID 103177517) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine.

Molecular Properties

Compound Name2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine
PubChem CID103177517
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine
SMILESCOCCCOCCOc1cccc(Cl)n1
InChIInChI=1S/C11H16ClNO3/c1-14-6-3-7-15-8-9-16-11-5-2-4-10(12)13-11/h2,4-5H,3,6-9H2,1H3
InChIKeyYDPNVJCKSWRADB-UHFFFAOYSA-N
XLogP2.17
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine?
The IUPAC name of 2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine (CID 103177517) is 2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine.
What is the SMILES notation for 2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine?
The canonical SMILES for 2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine is COCCCOCCOc1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine?
The InChIKey is YDPNVJCKSWRADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-14-6-3-7-15-8-9-16-11-5-2-4-10(12)13-11/h2,4-5H,3,6-9H2,1H3.
What are the key properties of 2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine?
2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine has a molecular weight of 245.71 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine is sourced from PubChem (CID 103177517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).