2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone

C14H11ClFNO — CID 103047960

IUPAC2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1C(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C14H11ClFNO/c1-9-3-2-6-17-14(9)13(18)8-10-7-11(15)4-5-12(10)16/h2-7H,8H2,1H3
InChIKeyOTNNBMFIAKFIOJ-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.61
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone

2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone (PubChem CID 103047960) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone
PubChem CID103047960
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1C(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C14H11ClFNO/c1-9-3-2-6-17-14(9)13(18)8-10-7-11(15)4-5-12(10)16/h2-7H,8H2,1H3
InChIKeyOTNNBMFIAKFIOJ-UHFFFAOYSA-N
XLogP3.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone (CID 103047960) is 2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone is Cc1cccnc1C(=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone?
The InChIKey is OTNNBMFIAKFIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c1-9-3-2-6-17-14(9)13(18)8-10-7-11(15)4-5-12(10)16/h2-7H,8H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone?
2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone has a molecular weight of 263.70 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 103047960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).