1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione

C14H9ClFNO2 — CID 164673969

IUPAC1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione
SMILESCc1cc(C(=O)C(=O)c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C14H9ClFNO2/c1-8-6-10(7-12(15)17-8)14(19)13(18)9-2-4-11(16)5-3-9/h2-7H,1H3
InChIKeyZDLYWJBHJMLBMD-UHFFFAOYSA-N
MW277.68 g/mol
LogP3.25
Rot. Bonds3

About 1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione

1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione (PubChem CID 164673969) has the molecular formula C14H9ClFNO2 and a molecular weight of 277.68 g/mol. Its IUPAC name is 1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione
PubChem CID164673969
Molecular FormulaC14H9ClFNO2
Molecular Weight277.68 g/mol
Exact Mass277.03
IUPAC Name1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione
SMILESCc1cc(C(=O)C(=O)c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C14H9ClFNO2/c1-8-6-10(7-12(15)17-8)14(19)13(18)9-2-4-11(16)5-3-9/h2-7H,1H3
InChIKeyZDLYWJBHJMLBMD-UHFFFAOYSA-N
XLogP3.25
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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-Chloro-3-acetylquinoline
CID 13301747
2-Chloro-5,6,7,8-tetrahydroquinolin-5-one
CID 592839
(E)-3-(2-Chloro-quinolin-3-yl)-1-(4-fluoro-phenyl)-propenone
CID 44271197
(4-Chlorophenyl)-[2-(difluoromethyl)-4-pyridinyl]methanone
CID 168289147
5,8-Quinolinedione, 2-chloro-4-methyl-
CID 5279447
1-(2-Methyl-6-phenylpyridin-3-yl)ethanone
CID 900920

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione?
The IUPAC name of 1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione (CID 164673969) is 1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione.
What is the SMILES notation for 1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione?
The canonical SMILES for 1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione is Cc1cc(C(=O)C(=O)c2ccc(F)cc2)cc(Cl)n1.
What is the InChIKey of 1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione?
The InChIKey is ZDLYWJBHJMLBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO2/c1-8-6-10(7-12(15)17-8)14(19)13(18)9-2-4-11(16)5-3-9/h2-7H,1H3.
What are the key properties of 1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione?
1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione has a molecular weight of 277.68 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methyl-4-pyridinyl)-2-(4-fluorophenyl)ethane-1,2-dione is sourced from PubChem (CID 164673969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).