1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone

C14H10Cl2FNO — CID 160693178

IUPAC1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(CC(=O)c2ncc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C14H10Cl2FNO/c1-8-4-9(2-3-12(8)17)5-13(19)14-11(16)6-10(15)7-18-14/h2-4,6-7H,5H2,1H3
InChIKeyANKPPOXBHLKVDT-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.26
Rot. Bonds3

About 1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone

1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 160693178) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone
PubChem CID160693178
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(CC(=O)c2ncc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C14H10Cl2FNO/c1-8-4-9(2-3-12(8)17)5-13(19)14-11(16)6-10(15)7-18-14/h2-4,6-7H,5H2,1H3
InChIKeyANKPPOXBHLKVDT-UHFFFAOYSA-N
XLogP4.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone (CID 160693178) is 1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone is Cc1cc(CC(=O)c2ncc(Cl)cc2Cl)ccc1F.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is ANKPPOXBHLKVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c1-8-4-9(2-3-12(8)17)5-13(19)14-11(16)6-10(15)7-18-14/h2-4,6-7H,5H2,1H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone?
1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 298.14 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 160693178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).