(5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone

C14H11Cl2NO2 — CID 58962380

IUPAC(5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C14H11Cl2NO2/c1-8-5-9(6-13(16)17-8)14(18)11-7-10(15)3-4-12(11)19-2/h3-7H,1-2H3
InChIKeyASQGFXTWIQOYLM-UHFFFAOYSA-N
MW296.15 g/mol
LogP3.94
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone

(5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone (PubChem CID 58962380) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone
PubChem CID58962380
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name(5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C14H11Cl2NO2/c1-8-5-9(6-13(16)17-8)14(18)11-7-10(15)3-4-12(11)19-2/h3-7H,1-2H3
InChIKeyASQGFXTWIQOYLM-UHFFFAOYSA-N
XLogP3.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)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

(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339575
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
5-chloro-2-methoxybenzoate
CID 6933314
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43339476
(5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone
CID 43338022
5-chloro-N-(4,6-dimethyl-2-pyridinyl)-2-methoxybenzamide
CID 868750
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681940

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone (CID 58962380) is (5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone is COc1ccc(Cl)cc1C(=O)c1cc(C)nc(Cl)c1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone?
The InChIKey is ASQGFXTWIQOYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-8-5-9(6-13(16)17-8)14(18)11-7-10(15)3-4-12(11)19-2/h3-7H,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone?
(5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone has a molecular weight of 296.15 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 58962380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).