2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone

C19H13Cl2NO2 — CID 86157650

IUPAC2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone
SMILESO=C(c1cccnc1)C(Oc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H13Cl2NO2/c20-15-8-9-17(16(21)11-15)24-19(13-5-2-1-3-6-13)18(23)14-7-4-10-22-12-14/h1-12,19H
InChIKeyVQJXCNLWSGJWPV-UHFFFAOYSA-N
MW358.22 g/mol
LogP5.39
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone

2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone (PubChem CID 86157650) has the molecular formula C19H13Cl2NO2 and a molecular weight of 358.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone
PubChem CID86157650
Molecular FormulaC19H13Cl2NO2
Molecular Weight358.22 g/mol
Exact Mass357.03
IUPAC Name2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone
SMILESO=C(c1cccnc1)C(Oc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H13Cl2NO2/c20-15-8-9-17(16(21)11-15)24-19(13-5-2-1-3-6-13)18(23)14-7-4-10-22-12-14/h1-12,19H
InChIKeyVQJXCNLWSGJWPV-UHFFFAOYSA-N
XLogP5.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.22
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid
CID 42233563
[[amino(pyridin-3-yl)methylidene]amino] 2-(2,4-dichlorophenoxy)propanoate
CID 2913540
[2-(2,4-dichlorophenoxy)-1-pyridin-3-ylbutyl] acetate
CID 19817142
(2R)-2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 42177498
2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 22683206
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide
CID 95733609
2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid
CID 22683110
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059
[(1R)-2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] pyridine-3-carboxylate
CID 887617
(2R,3S)-4,4,4-trichloro-1-(2,4-dichlorophenyl)-3-hydroxy-2-pyridin-3-ylbutan-1-one
CID 991918
1-(3-chloro-4-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 58626094
phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 1336816

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone (CID 86157650) is 2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone is O=C(c1cccnc1)C(Oc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone?
The InChIKey is VQJXCNLWSGJWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO2/c20-15-8-9-17(16(21)11-15)24-19(13-5-2-1-3-6-13)18(23)14-7-4-10-22-12-14/h1-12,19H.
What are the key properties of 2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone?
2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone has a molecular weight of 358.22 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone is sourced from PubChem (CID 86157650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).