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

C14H10Cl3NO3 — CID 134636667

IUPACmethyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)ncc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H10Cl3NO3/c1-20-11-5-8(14(19)21-2)9(6-18-11)7-3-4-10(15)13(17)12(7)16/h3-6H,1-2H3
InChIKeyMAZHPZSTSKNLKQ-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.50
Rot. Bonds3

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

methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate (PubChem CID 134636667) has the molecular formula C14H10Cl3NO3 and a molecular weight of 346.60 g/mol. Its IUPAC name is methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
PubChem CID134636667
Molecular FormulaC14H10Cl3NO3
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Namemethyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)ncc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H10Cl3NO3/c1-20-11-5-8(14(19)21-2)9(6-18-11)7-3-4-10(15)13(17)12(7)16/h3-6H,1-2H3
InChIKeyMAZHPZSTSKNLKQ-UHFFFAOYSA-N
XLogP4.50
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636206
methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate
CID 166163088
methyl 2-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634404
ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
CID 143512804
2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid
CID 119011318
methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636682
methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate
CID 133090457
methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636585
methyl 2-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636687
methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 170909839
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133090464
methyl 4,7,8-trichloroquinoline-3-carboxylate
CID 102614405

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate (CID 134636667) is methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate is COC(=O)c1cc(OC)ncc1-c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate?
The InChIKey is MAZHPZSTSKNLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO3/c1-20-11-5-8(14(19)21-2)9(6-18-11)7-3-4-10(15)13(17)12(7)16/h3-6H,1-2H3.
What are the key properties of methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate?
methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate has a molecular weight of 346.60 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate is sourced from PubChem (CID 134636667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).