(5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone

C15H12ClNO2 — CID 118713004

IUPAC(5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone
SMILESC=CCOc1ccc(Cl)cc1C(=O)c1cccnc1
InChIInChI=1S/C15H12ClNO2/c1-2-8-19-14-6-5-12(16)9-13(14)15(18)11-4-3-7-17-10-11/h2-7,9-10H,1,8H2
InChIKeyOYFHVUJWSGSOBH-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.53
Rot. Bonds5

About (5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone

(5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone (PubChem CID 118713004) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is (5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone
PubChem CID118713004
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name(5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone
SMILESC=CCOc1ccc(Cl)cc1C(=O)c1cccnc1
InChIInChI=1S/C15H12ClNO2/c1-2-8-19-14-6-5-12(16)9-13(14)15(18)11-4-3-7-17-10-11/h2-7,9-10H,1,8H2
InChIKeyOYFHVUJWSGSOBH-UHFFFAOYSA-N
XLogP3.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.53
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 (5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone?
The IUPAC name of (5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone (CID 118713004) is (5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone?
The canonical SMILES for (5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone is C=CCOc1ccc(Cl)cc1C(=O)c1cccnc1.
What is the InChIKey of (5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone?
The InChIKey is OYFHVUJWSGSOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-2-8-19-14-6-5-12(16)9-13(14)15(18)11-4-3-7-17-10-11/h2-7,9-10H,1,8H2.
What are the key properties of (5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone?
(5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone has a molecular weight of 273.72 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 118713004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).