ethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate

C15H13Cl3N2O3 — CID 1044255

IUPACethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)nc(Cl)c(Cl)c1Nc1ccc(OC)cc1
InChIInChI=1S/C15H13Cl3N2O3/c1-3-23-15(21)10-12(11(16)14(18)20-13(10)17)19-8-4-6-9(22-2)7-5-8/h4-7H,3H2,1-2H3,(H,19,20)
InChIKeyJRCJTLVUUFDJDC-UHFFFAOYSA-N
MW375.64 g/mol
LogP4.97
Rot. Bonds5

About ethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate

ethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate (PubChem CID 1044255) has the molecular formula C15H13Cl3N2O3 and a molecular weight of 375.64 g/mol. Its IUPAC name is ethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate
PubChem CID1044255
Molecular FormulaC15H13Cl3N2O3
Molecular Weight375.64 g/mol
Exact Mass374.00
IUPAC Nameethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)nc(Cl)c(Cl)c1Nc1ccc(OC)cc1
InChIInChI=1S/C15H13Cl3N2O3/c1-3-23-15(21)10-12(11(16)14(18)20-13(10)17)19-8-4-6-9(22-2)7-5-8/h4-7H,3H2,1-2H3,(H,19,20)
InChIKeyJRCJTLVUUFDJDC-UHFFFAOYSA-N
XLogP4.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.64
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate 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

2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 1046217
2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 1044959
Ethyl 2,5,6-trichloro-4-{[4-(trifluoromethoxy)phenyl]amino}pyridine-3-carboxylate
CID 633393
Ethyl 2,5,6-trichloro-4-[(3-fluorophenyl)amino]pyridine-3-carboxylate
CID 1259187
2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 579068
2,5-Dichloro-N-(4-methoxy-phenyl)-4,6-dimethyl-nicotinamide
CID 608822
2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide
CID 685922
2,5-dichloro-N-(3-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 778134
2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)nicotinamide
CID 850419
2,6-dichloro-5-fluoro-N-(4-phenoxyphenyl)nicotinamide
CID 985601
2-Chloro-5-((4-(trifluoromethoxy)phenyl)carbamoyl)nicotinic acid ethyl ester
CID 89906862
5,6-Dichloro-4-(3-fluoro-4-methoxyphenylamino)nicotinic acid
CID 118412545

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate (CID 1044255) is ethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate is CCOC(=O)c1c(Cl)nc(Cl)c(Cl)c1Nc1ccc(OC)cc1.
What is the InChIKey of ethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate?
The InChIKey is JRCJTLVUUFDJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O3/c1-3-23-15(21)10-12(11(16)14(18)20-13(10)17)19-8-4-6-9(22-2)7-5-8/h4-7H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate?
ethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate has a molecular weight of 375.64 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5,6-trichloro-4-(4-methoxyanilino)pyridine-3-carboxylate is sourced from PubChem (CID 1044255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).