(3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone

C15H11Cl2NO2 — CID 118713014

IUPAC(3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone
SMILESC=CCOc1c(Cl)cc(Cl)cc1C(=O)c1cccnc1
InChIInChI=1S/C15H11Cl2NO2/c1-2-6-20-15-12(7-11(16)8-13(15)17)14(19)10-4-3-5-18-9-10/h2-5,7-9H,1,6H2
InChIKeyHGJRHHQLXLTVKD-UHFFFAOYSA-N
MW308.16 g/mol
LogP4.18
Rot. Bonds5

About (3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone

(3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone (PubChem CID 118713014) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is (3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone
PubChem CID118713014
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name(3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone
SMILESC=CCOc1c(Cl)cc(Cl)cc1C(=O)c1cccnc1
InChIInChI=1S/C15H11Cl2NO2/c1-2-6-20-15-12(7-11(16)8-13(15)17)14(19)10-4-3-5-18-9-10/h2-5,7-9H,1,6H2
InChIKeyHGJRHHQLXLTVKD-UHFFFAOYSA-N
XLogP4.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone?
The IUPAC name of (3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone (CID 118713014) is (3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone?
The canonical SMILES for (3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone is C=CCOc1c(Cl)cc(Cl)cc1C(=O)c1cccnc1.
What is the InChIKey of (3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone?
The InChIKey is HGJRHHQLXLTVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c1-2-6-20-15-12(7-11(16)8-13(15)17)14(19)10-4-3-5-18-9-10/h2-5,7-9H,1,6H2.
What are the key properties of (3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone?
(3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone has a molecular weight of 308.16 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 118713014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).