5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine

C17H19ClN2O2 — CID 154963843

IUPAC5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine
SMILESCc1cc(Oc2ccnc(Cl)c2)c(C2CCOCC2)nc1C
InChIInChI=1S/C17H19ClN2O2/c1-11-9-15(22-14-3-6-19-16(18)10-14)17(20-12(11)2)13-4-7-21-8-5-13/h3,6,9-10,13H,4-5,7-8H2,1-2H3
InChIKeyVYMZJNARUWVPHB-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.43
Rot. Bonds3

About 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine

5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine (PubChem CID 154963843) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine.

Molecular Properties

Compound Name5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine
PubChem CID154963843
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine
SMILESCc1cc(Oc2ccnc(Cl)c2)c(C2CCOCC2)nc1C
InChIInChI=1S/C17H19ClN2O2/c1-11-9-15(22-14-3-6-19-16(18)10-14)17(20-12(11)2)13-4-7-21-8-5-13/h3,6,9-10,13H,4-5,7-8H2,1-2H3
InChIKeyVYMZJNARUWVPHB-UHFFFAOYSA-N
XLogP4.43
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine?
The IUPAC name of 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine (CID 154963843) is 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine.
What is the SMILES notation for 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine?
The canonical SMILES for 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine is Cc1cc(Oc2ccnc(Cl)c2)c(C2CCOCC2)nc1C.
What is the InChIKey of 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine?
The InChIKey is VYMZJNARUWVPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11-9-15(22-14-3-6-19-16(18)10-14)17(20-12(11)2)13-4-7-21-8-5-13/h3,6,9-10,13H,4-5,7-8H2,1-2H3.
What are the key properties of 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine?
5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine has a molecular weight of 318.80 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine is sourced from PubChem (CID 154963843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).