2-(2-pyridin-4-ylphenyl)acetyl chloride

C13H10ClNO — CID 22994144

IUPAC2-(2-pyridin-4-ylphenyl)acetyl chloride
SMILESO=C(Cl)Cc1ccccc1-c1ccncc1
InChIInChI=1S/C13H10ClNO/c14-13(16)9-11-3-1-2-4-12(11)10-5-7-15-8-6-10/h1-8H,9H2
InChIKeyZUSNLDRMXRZFKW-UHFFFAOYSA-N
MW231.68 g/mol
LogP3.06
Rot. Bonds3

About 2-(2-pyridin-4-ylphenyl)acetyl chloride

2-(2-pyridin-4-ylphenyl)acetyl chloride (PubChem CID 22994144) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-(2-pyridin-4-ylphenyl)acetyl chloride.

Molecular Properties

Compound Name2-(2-pyridin-4-ylphenyl)acetyl chloride
PubChem CID22994144
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name2-(2-pyridin-4-ylphenyl)acetyl chloride
SMILESO=C(Cl)Cc1ccccc1-c1ccncc1
InChIInChI=1S/C13H10ClNO/c14-13(16)9-11-3-1-2-4-12(11)10-5-7-15-8-6-10/h1-8H,9H2
InChIKeyZUSNLDRMXRZFKW-UHFFFAOYSA-N
XLogP3.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-ylphenyl)acetyl chloride?
The IUPAC name of 2-(2-pyridin-4-ylphenyl)acetyl chloride (CID 22994144) is 2-(2-pyridin-4-ylphenyl)acetyl chloride.
What is the SMILES notation for 2-(2-pyridin-4-ylphenyl)acetyl chloride?
The canonical SMILES for 2-(2-pyridin-4-ylphenyl)acetyl chloride is O=C(Cl)Cc1ccccc1-c1ccncc1.
What is the InChIKey of 2-(2-pyridin-4-ylphenyl)acetyl chloride?
The InChIKey is ZUSNLDRMXRZFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO/c14-13(16)9-11-3-1-2-4-12(11)10-5-7-15-8-6-10/h1-8H,9H2.
What are the key properties of 2-(2-pyridin-4-ylphenyl)acetyl chloride?
2-(2-pyridin-4-ylphenyl)acetyl chloride has a molecular weight of 231.68 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-ylphenyl)acetyl chloride is sourced from PubChem (CID 22994144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).