(2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone

C19H11ClN2O — CID 69154130

IUPAC(2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone
SMILESO=C(c1ccccc1Cl)c1cccnc1C#Cc1ccncc1
InChIInChI=1S/C19H11ClN2O/c20-17-6-2-1-4-15(17)19(23)16-5-3-11-22-18(16)8-7-14-9-12-21-13-10-14/h1-6,9-13H
InChIKeyUTKAJKNKHJSSFW-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.76
Rot. Bonds2

About (2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone

(2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone (PubChem CID 69154130) has the molecular formula C19H11ClN2O and a molecular weight of 318.76 g/mol. Its IUPAC name is (2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone
PubChem CID69154130
Molecular FormulaC19H11ClN2O
Molecular Weight318.76 g/mol
Exact Mass318.06
IUPAC Name(2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone
SMILESO=C(c1ccccc1Cl)c1cccnc1C#Cc1ccncc1
InChIInChI=1S/C19H11ClN2O/c20-17-6-2-1-4-15(17)19(23)16-5-3-11-22-18(16)8-7-14-9-12-21-13-10-14/h1-6,9-13H
InChIKeyUTKAJKNKHJSSFW-UHFFFAOYSA-N
XLogP3.76
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone?
The IUPAC name of (2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone (CID 69154130) is (2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone?
The canonical SMILES for (2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone is O=C(c1ccccc1Cl)c1cccnc1C#Cc1ccncc1.
What is the InChIKey of (2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone?
The InChIKey is UTKAJKNKHJSSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O/c20-17-6-2-1-4-15(17)19(23)16-5-3-11-22-18(16)8-7-14-9-12-21-13-10-14/h1-6,9-13H.
What are the key properties of (2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone?
(2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone has a molecular weight of 318.76 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2-(2-pyridin-4-ylethynyl)-3-pyridinyl]methanone is sourced from PubChem (CID 69154130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).