bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone

C23H12Cl4N2O — CID 69014975

IUPACbis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone
SMILESO=C(c1cc(Cl)cc(-c2ccncc2)c1Cl)c1cc(Cl)cc(-c2ccncc2)c1Cl
InChIInChI=1S/C23H12Cl4N2O/c24-15-9-17(13-1-5-28-6-2-13)21(26)19(11-15)23(30)20-12-16(25)10-18(22(20)27)14-3-7-29-8-4-14/h1-12H
InChIKeyAPOIMSDULHLNSQ-UHFFFAOYSA-N
MW474.17 g/mol
LogP7.66
Rot. Bonds4

About bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone

bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone (PubChem CID 69014975) has the molecular formula C23H12Cl4N2O and a molecular weight of 474.17 g/mol. Its IUPAC name is bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Namebis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone
PubChem CID69014975
Molecular FormulaC23H12Cl4N2O
Molecular Weight474.17 g/mol
Exact Mass471.97
IUPAC Namebis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone
SMILESO=C(c1cc(Cl)cc(-c2ccncc2)c1Cl)c1cc(Cl)cc(-c2ccncc2)c1Cl
InChIInChI=1S/C23H12Cl4N2O/c24-15-9-17(13-1-5-28-6-2-13)21(26)19(11-15)23(30)20-12-16(25)10-18(22(20)27)14-3-7-29-8-4-14/h1-12H
InChIKeyAPOIMSDULHLNSQ-UHFFFAOYSA-N
XLogP7.66
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.17
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-Dichlorophenyl)-3-(4-quinolinyl)-2-propen-1-one
CID 10359122
(E)-1-(3-chlorophenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 40700815
(3-Chlorophenyl)[1-(isoquinolin-5-ylmethyl)piperidin-3-yl]methanone
CID 16187607
(Z)-1-(2,5-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 44364642
(E)-1-(2,5-dichlorophenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 44419469
(4-Chlorophenyl)[1-(isoquinolin-5-ylmethyl)piperidin-3-yl]methanone
CID 16188438
8-Chloro-2-propyl-6-pyridin-4-ylisoquinolin-1-one
CID 53322147
2-Chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-pyridinyl)benzamide
CID 56658695
2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-pyridin-4-ylbenzamide
CID 56675816
(2-Chlorophenyl)-[2-(3-chlorophenyl)-3-pyridinyl]methanone
CID 145991139
2-Chloro-4-pyridin-3-ylbenzamide
CID 155526234
(E)-3-(6-chloro-3-pyridinyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
CID 156011957

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone?
The IUPAC name of bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone (CID 69014975) is bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone?
The canonical SMILES for bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone is O=C(c1cc(Cl)cc(-c2ccncc2)c1Cl)c1cc(Cl)cc(-c2ccncc2)c1Cl.
What is the InChIKey of bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone?
The InChIKey is APOIMSDULHLNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Cl4N2O/c24-15-9-17(13-1-5-28-6-2-13)21(26)19(11-15)23(30)20-12-16(25)10-18(22(20)27)14-3-7-29-8-4-14/h1-12H.
What are the key properties of bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone?
bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone has a molecular weight of 474.17 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 69014975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).