2-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)ethanone

C14H11ClFNO — CID 164673787

IUPAC2-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)ethanone
SMILESCc1cc(CC(=O)c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C14H11ClFNO/c1-9-6-10(8-14(15)17-9)7-13(18)11-2-4-12(16)5-3-11/h2-6,8H,7H2,1H3
InChIKeyDCLLMGRAOSGZLQ-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.61
Rot. Bonds3

About 2-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)ethanone

2-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)ethanone (PubChem CID 164673787) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 2-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)ethanone
PubChem CID164673787
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name2-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)ethanone
SMILESCc1cc(CC(=O)c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C14H11ClFNO/c1-9-6-10(8-14(15)17-9)7-13(18)11-2-4-12(16)5-3-11/h2-6,8H,7H2,1H3
InChIKeyDCLLMGRAOSGZLQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(2-Chloroquinolin-3-yl)-1-phenylprop-2-en-1-one
CID 6112225
2-(4-Chlorobenzoyl)pyridine
CID 80594
1-(3-(2-(6-Methylpyridin-2-yl)ethynyl)phenyl)ethanone
CID 18763228
1-(4-Chlorophenyl)-2-(pyridin-2-yl)ethan-1-one
CID 615549
1-(6-Acetyl-4-chloropyridin-2-yl)ethan-1-one
CID 10821768
2-Chloro-5,6,7,8-tetrahydroquinolin-8-one
CID 14680112
8-Quinolinone,6,7,8-tetrahydro-7-(phenylmethylene)-
CID 5470385
3-(2-Chlorophenyl)-1-(2-methyl-5,6,7,8-tetrahydro-3-quinolinyl)-2-propen-1-one
CID 5720071
(E)-3-(2-chloroquinolin-3-yl)-1-(2,4-difluorophenyl)prop-2-en-1-one
CID 10687822
2-(3-Chlorobenzoyl)pyridine
CID 10727521
2-Chloro-3-acetylquinoline
CID 13301747
2-Chloro-5,6,7,8-tetrahydroquinolin-5-one
CID 592839

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)ethanone (CID 164673787) is 2-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)ethanone is Cc1cc(CC(=O)c2ccc(F)cc2)cc(Cl)n1.
What is the InChIKey of 2-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)ethanone?
The InChIKey is DCLLMGRAOSGZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c1-9-6-10(8-14(15)17-9)7-13(18)11-2-4-12(16)5-3-11/h2-6,8H,7H2,1H3.
What are the key properties of 2-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)ethanone?
2-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)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-(2-chloro-6-methyl-4-pyridinyl)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 164673787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).