1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone

C13H9Cl2NO — CID 22142437

IUPAC1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2NO/c14-10-1-2-11(12(15)8-10)13(17)7-9-3-5-16-6-4-9/h1-6,8H,7H2
InChIKeyUOLLDNPAYLFFDD-UHFFFAOYSA-N
MW266.13 g/mol
LogP3.81
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone

1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone (PubChem CID 22142437) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone
PubChem CID22142437
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2NO/c14-10-1-2-11(12(15)8-10)13(17)7-9-3-5-16-6-4-9/h1-6,8H,7H2
InChIKeyUOLLDNPAYLFFDD-UHFFFAOYSA-N
XLogP3.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 115736507
1-(3-chloro-4-pyridinyl)-2-phenylethanone
CID 105077956
1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone
CID 63528200
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone
CID 55196773
2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethanone
CID 105089516
(2,4-dichlorophenyl)-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 37445550
3-(2,4-dichlorophenyl)-3-oxopropanal
CID 10889333
1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978828
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-pyridinyl]benzamide
CID 23828920
1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 114281153

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone (CID 22142437) is 1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone?
The InChIKey is UOLLDNPAYLFFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c14-10-1-2-11(12(15)8-10)13(17)7-9-3-5-16-6-4-9/h1-6,8H,7H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone?
1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone has a molecular weight of 266.13 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 22142437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).