2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine

C11H16ClNO3 — CID 103402231

IUPAC2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine
SMILESCOCCOCCCOc1ccnc(Cl)c1
InChIInChI=1S/C11H16ClNO3/c1-14-7-8-15-5-2-6-16-10-3-4-13-11(12)9-10/h3-4,9H,2,5-8H2,1H3
InChIKeyLTRVCOOHYOQLFE-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.17
Rot. Bonds8

About 2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine

2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine (PubChem CID 103402231) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine.

Molecular Properties

Compound Name2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine
PubChem CID103402231
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine
SMILESCOCCOCCCOc1ccnc(Cl)c1
InChIInChI=1S/C11H16ClNO3/c1-14-7-8-15-5-2-6-16-10-3-4-13-11(12)9-10/h3-4,9H,2,5-8H2,1H3
InChIKeyLTRVCOOHYOQLFE-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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Related Compounds

2-chloro-4-(2-propoxyethoxy)pyridine
CID 63778475
2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine
CID 113427169
2-[(2-chloro-4-pyridinyl)oxy]ethanamine
CID 84654514
2-chloro-4-(4-methylpentoxy)pyridine
CID 63776506
1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine
CID 103180750
2-chloro-4-(3-methylbutoxy)pyridine
CID 63777400
1-(chloromethyl)-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103410378
N-[[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 103180865
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-pyridinyl]oxy]ethoxy]ethoxy]ethoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate
CID 171721139
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 104566339

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine?
The IUPAC name of 2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine (CID 103402231) is 2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine.
What is the SMILES notation for 2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine?
The canonical SMILES for 2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine is COCCOCCCOc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine?
The InChIKey is LTRVCOOHYOQLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-14-7-8-15-5-2-6-16-10-3-4-13-11(12)9-10/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine?
2-chloro-4-[3-(2-methoxyethoxy)propoxy]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-4-[3-(2-methoxyethoxy)propoxy]pyridine is sourced from PubChem (CID 103402231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).