2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone

C15H13ClFNO — CID 112653415

IUPAC2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
SMILESCCc1cccnc1C(=O)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H13ClFNO/c1-2-10-6-4-8-18-15(10)13(19)9-11-5-3-7-12(17)14(11)16/h3-8H,2,9H2,1H3
InChIKeyBDLZYVHJOSGUFR-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.86
Rot. Bonds4

About 2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone

2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone (PubChem CID 112653415) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
PubChem CID112653415
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
SMILESCCc1cccnc1C(=O)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H13ClFNO/c1-2-10-6-4-8-18-15(10)13(19)9-11-5-3-7-12(17)14(11)16/h3-8H,2,9H2,1H3
InChIKeyBDLZYVHJOSGUFR-UHFFFAOYSA-N
XLogP3.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730026
2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone
CID 105127133
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730447
1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
CID 82730236
2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone
CID 115983474
1-(2-chloro-3-fluorophenyl)-3,4-dimethylpentan-2-one
CID 115797412
1-(3-ethyl-2-pyridinyl)-4,4-dimethylpentan-1-one
CID 82730843
2-(2-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 112653250
1-(3-ethyl-2-pyridinyl)octan-1-one
CID 82730570
3-(aminomethyl)-1-(2-chloro-3-fluorophenyl)pentan-2-one
CID 116575236
1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one
CID 82729556

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone (CID 112653415) is 2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone is CCc1cccnc1C(=O)Cc1cccc(F)c1Cl.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone?
The InChIKey is BDLZYVHJOSGUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-2-10-6-4-8-18-15(10)13(19)9-11-5-3-7-12(17)14(11)16/h3-8H,2,9H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone?
2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone has a molecular weight of 277.73 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 112653415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).