2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone

C16H18ClNO2 — CID 89148514

IUPAC2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone
SMILESO=C(COc1cccnc1Cl)C12CC3CC(C1)C(C3)C2
InChIInChI=1S/C16H18ClNO2/c17-15-13(2-1-3-18-15)20-9-14(19)16-6-10-4-11(7-16)12(5-10)8-16/h1-3,10-12H,4-9H2
InChIKeyBDVACSLPQWJZST-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.51
Rot. Bonds4

About 2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone

2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone (PubChem CID 89148514) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone
PubChem CID89148514
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone
SMILESO=C(COc1cccnc1Cl)C12CC3CC(C1)C(C3)C2
InChIInChI=1S/C16H18ClNO2/c17-15-13(2-1-3-18-15)20-9-14(19)16-6-10-4-11(7-16)12(5-10)8-16/h1-3,10-12H,4-9H2
InChIKeyBDVACSLPQWJZST-UHFFFAOYSA-N
XLogP3.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone (CID 89148514) is 2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone is O=C(COc1cccnc1Cl)C12CC3CC(C1)C(C3)C2.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone?
The InChIKey is BDVACSLPQWJZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c17-15-13(2-1-3-18-15)20-9-14(19)16-6-10-4-11(7-16)12(5-10)8-16/h1-3,10-12H,4-9H2.
What are the key properties of 2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone?
2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone has a molecular weight of 291.78 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone is sourced from PubChem (CID 89148514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).