methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate

C14H10Cl3NO3 — CID 134636682

IUPACmethyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(OC)n1
InChIInChI=1S/C14H10Cl3NO3/c1-20-13-8(4-6-10(18-13)14(19)21-2)7-3-5-9(15)12(17)11(7)16/h3-6H,1-2H3
InChIKeyNGKMGRKLUCQGKA-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.50
Rot. Bonds3

About methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate

methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate (PubChem CID 134636682) has the molecular formula C14H10Cl3NO3 and a molecular weight of 346.60 g/mol. Its IUPAC name is methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
PubChem CID134636682
Molecular FormulaC14H10Cl3NO3
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Namemethyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(OC)n1
InChIInChI=1S/C14H10Cl3NO3/c1-20-13-8(4-6-10(18-13)14(19)21-2)7-3-5-9(15)12(17)11(7)16/h3-6H,1-2H3
InChIKeyNGKMGRKLUCQGKA-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

6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid
CID 134636463
methyl 5,6-bis(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylate
CID 134635394
6-methoxy-5-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid
CID 134631383
methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636585
methyl 5-bromo-6-methoxypyridine-2-carboxylate
CID 46311222
methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636667
methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636636
methyl 7-chloro-8-methylquinoline-2-carboxylate
CID 102941507
methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133090472
methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate
CID 114408812
methyl 7-chloro-8-fluoroquinoline-2-carboxylate
CID 102941458
methyl 2-methyl-1-[(2,3,4-trichlorophenyl)methyl]imidazo[4,5-b]pyridine-5-carboxylate
CID 22388013

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate (CID 134636682) is methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate is COC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(OC)n1.
What is the InChIKey of methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate?
The InChIKey is NGKMGRKLUCQGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO3/c1-20-13-8(4-6-10(18-13)14(19)21-2)7-3-5-9(15)12(17)11(7)16/h3-6H,1-2H3.
What are the key properties of methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate?
methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-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 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 134636682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).