4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one

C18H11Cl2IN2O4 — CID 118137932

IUPAC4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one
SMILESCn1cc(-c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2I)c(Cl)cc1=O
InChIInChI=1S/C18H11Cl2IN2O4/c1-22-9-13(14(20)8-18(22)24)12-7-11(23(25)26)3-5-16(12)27-17-4-2-10(19)6-15(17)21/h2-9H,1H3
InChIKeyZQQRAZVMEKZNKP-UHFFFAOYSA-N
MW517.11 g/mol
LogP5.66
Rot. Bonds4

About 4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one

4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one (PubChem CID 118137932) has the molecular formula C18H11Cl2IN2O4 and a molecular weight of 517.11 g/mol. Its IUPAC name is 4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one
PubChem CID118137932
Molecular FormulaC18H11Cl2IN2O4
Molecular Weight517.11 g/mol
Exact Mass515.91
IUPAC Name4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one
SMILESCn1cc(-c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2I)c(Cl)cc1=O
InChIInChI=1S/C18H11Cl2IN2O4/c1-22-9-13(14(20)8-18(22)24)12-7-11(23(25)26)3-5-16(12)27-17-4-2-10(19)6-15(17)21/h2-9H,1H3
InChIKeyZQQRAZVMEKZNKP-UHFFFAOYSA-N
XLogP5.66
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.11
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one 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

4-chloro-5-[2-[2-iodo-4-(trifluoromethyl)phenoxy]-5-nitrophenyl]-1-methylpyridin-2-one
CID 118137772
2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-nitrophenoxy]-4-nitrobenzene
CID 21417787
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
4-chloro-5-[2-[4-chloro-2-(4-hydroxybut-1-ynyl)phenoxy]-5-ethylsulfonylphenyl]-1-methylpyridin-2-one
CID 118137821
1-chloro-4-[2-[2-(4-chloro-3-methylphenyl)-4-nitrophenoxy]-5-nitrophenyl]-2-methylbenzene
CID 21120226
5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one
CID 90026137
2-[4-chloro-2-(2-cyano-4-nitrophenoxy)phenoxy]-5-nitrobenzonitrile
CID 74762646
4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
CID 67390461
4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one
CID 118137816
4-[2-(3,4-difluorophenoxy)-5-nitrophenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 86721045
5-chloro-2-(2-methoxy-5-nitrophenoxy)benzonitrile
CID 62493404
(2-iodo-4-nitrophenyl) 4-chlorobenzenesulfonate
CID 11305230

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one?
The IUPAC name of 4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one (CID 118137932) is 4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one is Cn1cc(-c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2I)c(Cl)cc1=O.
What is the InChIKey of 4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one?
The InChIKey is ZQQRAZVMEKZNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2IN2O4/c1-22-9-13(14(20)8-18(22)24)12-7-11(23(25)26)3-5-16(12)27-17-4-2-10(19)6-15(17)21/h2-9H,1H3.
What are the key properties of 4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one?
4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one has a molecular weight of 517.11 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(4-chloro-2-iodophenoxy)-5-nitrophenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 118137932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).