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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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347309
2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone
CID 113365492
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82814391
(3,5-dichloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methanone
CID 79786089
2-[3-[(4R)-2-amino-4-ethynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone
CID 118399142
1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione
CID 165000552
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 103042811
4-(3,5-dichloro-2-pyridinyl)-4-oxobutanoic acid
CID 79780666
1-(3,5-dichloro-2-pyridinyl)decan-1-one
CID 79786254
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 62621745
2-[3-[2-amino-4-(4-fluorophenyl)-5H-1,3-thiazol-4-yl]phenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone
CID 58377104

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).