2-chloro-4-(2-propoxyethoxymethyl)pyridine

C11H16ClNO2 — CID 63684727

IUPAC2-chloro-4-(2-propoxyethoxymethyl)pyridine
SMILESCCCOCCOCc1ccnc(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-2-5-14-6-7-15-9-10-3-4-13-11(12)8-10/h3-4,8H,2,5-7,9H2,1H3
InChIKeyADGCZPNLRCYQQQ-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.68
Rot. Bonds7

About 2-chloro-4-(2-propoxyethoxymethyl)pyridine

2-chloro-4-(2-propoxyethoxymethyl)pyridine (PubChem CID 63684727) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-chloro-4-(2-propoxyethoxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(2-propoxyethoxymethyl)pyridine
PubChem CID63684727
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-chloro-4-(2-propoxyethoxymethyl)pyridine
SMILESCCCOCCOCc1ccnc(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-2-5-14-6-7-15-9-10-3-4-13-11(12)8-10/h3-4,8H,2,5-7,9H2,1H3
InChIKeyADGCZPNLRCYQQQ-UHFFFAOYSA-N
XLogP2.68
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-4-(2-propoxyethoxymethyl)pyridine?
The IUPAC name of 2-chloro-4-(2-propoxyethoxymethyl)pyridine (CID 63684727) is 2-chloro-4-(2-propoxyethoxymethyl)pyridine.
What is the SMILES notation for 2-chloro-4-(2-propoxyethoxymethyl)pyridine?
The canonical SMILES for 2-chloro-4-(2-propoxyethoxymethyl)pyridine is CCCOCCOCc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-propoxyethoxymethyl)pyridine?
The InChIKey is ADGCZPNLRCYQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-2-5-14-6-7-15-9-10-3-4-13-11(12)8-10/h3-4,8H,2,5-7,9H2,1H3.
What are the key properties of 2-chloro-4-(2-propoxyethoxymethyl)pyridine?
2-chloro-4-(2-propoxyethoxymethyl)pyridine has a molecular weight of 229.71 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-propoxyethoxymethyl)pyridine is sourced from PubChem (CID 63684727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).