2-(2-chlorophenyl)-1-pyridin-4-ylethanone

C13H10ClNO — CID 3619454

IUPAC2-(2-chlorophenyl)-1-pyridin-4-ylethanone
SMILESO=C(Cc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C13H10ClNO/c14-12-4-2-1-3-11(12)9-13(16)10-5-7-15-8-6-10/h1-8H,9H2
InChIKeyFDARMWFRSMPFOA-UHFFFAOYSA-N
MW231.68 g/mol
LogP3.16
Rot. Bonds3

About 2-(2-chlorophenyl)-1-pyridin-4-ylethanone

2-(2-chlorophenyl)-1-pyridin-4-ylethanone (PubChem CID 3619454) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-pyridin-4-ylethanone
PubChem CID3619454
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name2-(2-chlorophenyl)-1-pyridin-4-ylethanone
SMILESO=C(Cc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C13H10ClNO/c14-12-4-2-1-3-11(12)9-13(16)10-5-7-15-8-6-10/h1-8H,9H2
InChIKeyFDARMWFRSMPFOA-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-pyridin-4-ylethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-pyridin-4-ylethanone (CID 3619454) is 2-(2-chlorophenyl)-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-pyridin-4-ylethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-pyridin-4-ylethanone is O=C(Cc1ccccc1Cl)c1ccncc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-pyridin-4-ylethanone?
The InChIKey is FDARMWFRSMPFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO/c14-12-4-2-1-3-11(12)9-13(16)10-5-7-15-8-6-10/h1-8H,9H2.
What are the key properties of 2-(2-chlorophenyl)-1-pyridin-4-ylethanone?
2-(2-chlorophenyl)-1-pyridin-4-ylethanone has a molecular weight of 231.68 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-pyridin-4-ylethanone is sourced from PubChem (CID 3619454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).