(5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate

C15H11Cl2NO5 — CID 4795346

IUPAC(5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OC)cc1OC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO5/c1-21-9-3-4-10(15(20)22-2)12(6-9)23-14(19)8-5-11(16)13(17)18-7-8/h3-7H,1-2H3
InChIKeyZPNLESQQWVWSCM-UHFFFAOYSA-N
MW356.16 g/mol
LogP3.40
Rot. Bonds4

About (5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate

(5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate (PubChem CID 4795346) has the molecular formula C15H11Cl2NO5 and a molecular weight of 356.16 g/mol. Its IUPAC name is (5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name(5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate
PubChem CID4795346
Molecular FormulaC15H11Cl2NO5
Molecular Weight356.16 g/mol
Exact Mass355.00
IUPAC Name(5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OC)cc1OC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO5/c1-21-9-3-4-10(15(20)22-2)12(6-9)23-14(19)8-5-11(16)13(17)18-7-8/h3-7H,1-2H3
InChIKeyZPNLESQQWVWSCM-UHFFFAOYSA-N
XLogP3.40
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.16
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate
CID 17391291
(4-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
CID 8881479
(2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
CID 8778526
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate
CID 91190692
(2-chlorophenyl) 2,4-dimethoxybenzoate
CID 2366254
methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate
CID 78766506
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
N-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide
CID 62416422
methyl 2-[(3,4-dichlorophenyl)methylsulfonyloxy]-4-methoxybenzoate
CID 56579059
[3-chloro-4-(4-methoxybenzoyl)oxyphenyl] 4-methoxybenzoate
CID 90331687
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631233

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate?
The IUPAC name of (5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate (CID 4795346) is (5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for (5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate?
The canonical SMILES for (5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate is COC(=O)c1ccc(OC)cc1OC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of (5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate?
The InChIKey is ZPNLESQQWVWSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO5/c1-21-9-3-4-10(15(20)22-2)12(6-9)23-14(19)8-5-11(16)13(17)18-7-8/h3-7H,1-2H3.
What are the key properties of (5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate?
(5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate has a molecular weight of 356.16 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 4795346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).