methyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate

C13H8Cl3NO3 — CID 133092676

IUPACmethyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1c(O)cncc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H8Cl3NO3/c1-20-13(19)11-8(4-17-5-10(11)18)7-2-6(14)3-9(15)12(7)16/h2-5,18H,1H3
InChIKeyHYMODXUYSPAHFY-UHFFFAOYSA-N
MW332.57 g/mol
LogP4.20
Rot. Bonds2

About methyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate

methyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate (PubChem CID 133092676) has the molecular formula C13H8Cl3NO3 and a molecular weight of 332.57 g/mol. Its IUPAC name is methyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate
PubChem CID133092676
Molecular FormulaC13H8Cl3NO3
Molecular Weight332.57 g/mol
Exact Mass330.96
IUPAC Namemethyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1c(O)cncc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H8Cl3NO3/c1-20-13(19)11-8(4-17-5-10(11)18)7-2-6(14)3-9(15)12(7)16/h2-5,18H,1H3
InChIKeyHYMODXUYSPAHFY-UHFFFAOYSA-N
XLogP4.20
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.57
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze methyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-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

methyl 3,5-bis(2,3,4,5,6-pentachlorophenyl)pyridine-4-carboxylate
CID 134634790
methyl 3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carboxylate
CID 133091425
methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133090472
methyl 5-amino-2-(2,3,5-trichlorophenyl)pyridine-4-carboxylate
CID 133087054
methyl 6-oxo-5-(2,3,5-trichlorophenyl)-1H-pyridine-3-carboxylate
CID 133092680
methyl 6-oxo-3-(2,3,5-trichlorophenyl)-1H-pyridine-2-carboxylate
CID 133092682
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
methyl 5-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133087058
ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate
CID 133092814
methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate
CID 102035731
methyl 4-chloro-2,6-diiodobenzoate
CID 130775245
5-chloro-2-methoxy-3-(2,3,5-trichlorophenyl)pyridine
CID 134637303

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate (CID 133092676) is methyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate is COC(=O)c1c(O)cncc1-c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of methyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate?
The InChIKey is HYMODXUYSPAHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO3/c1-20-13(19)11-8(4-17-5-10(11)18)7-2-6(14)3-9(15)12(7)16/h2-5,18H,1H3.
What are the key properties of methyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate?
methyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate has a molecular weight of 332.57 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate is sourced from PubChem (CID 133092676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).