methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate

C13H8Cl3NO2 — CID 133088044

IUPACmethyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)ccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl3NO2/c1-19-13(18)12-8(3-5-11(16)17-12)7-2-4-9(14)10(15)6-7/h2-6H,1H3
InChIKeyDRMWIBPMNLLKHB-UHFFFAOYSA-N
MW316.57 g/mol
LogP4.50
Rot. Bonds2

About methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate

methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate (PubChem CID 133088044) has the molecular formula C13H8Cl3NO2 and a molecular weight of 316.57 g/mol. Its IUPAC name is methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate
PubChem CID133088044
Molecular FormulaC13H8Cl3NO2
Molecular Weight316.57 g/mol
Exact Mass314.96
IUPAC Namemethyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)ccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl3NO2/c1-19-13(18)12-8(3-5-11(16)17-12)7-2-4-9(14)10(15)6-7/h2-6H,1H3
InChIKeyDRMWIBPMNLLKHB-UHFFFAOYSA-N
XLogP4.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.57
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-chloro-3-(2,5-dichlorophenyl)pyridine-2-carboxylate
CID 133088306
methyl 3-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134636767
dimethyl 2-(3,4-dichlorophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953675
methyl 2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306371
methyl 4-(3,4-dichlorophenyl)benzoate
CID 18526057
methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate
CID 140938984
methyl 6-chloro-3-nitropyridine-2-carboxylate
CID 122129855
methyl 5-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 133092802
methyl 4,6-dichloro-3-iodopyridine-2-carboxylate
CID 86668299
methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 55050816
methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate
CID 88889558
methyl 3-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636658

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate (CID 133088044) is methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate is COC(=O)c1nc(Cl)ccc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate?
The InChIKey is DRMWIBPMNLLKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO2/c1-19-13(18)12-8(3-5-11(16)17-12)7-2-4-9(14)10(15)6-7/h2-6H,1H3.
What are the key properties of methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate?
methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate has a molecular weight of 316.57 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 133088044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).