(2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate

C13H9Cl2NO3 — CID 8778526

IUPAC(2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
SMILESCOc1ccccc1OC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2NO3/c1-18-10-4-2-3-5-11(10)19-13(17)8-6-9(14)12(15)16-7-8/h2-7H,1H3
InChIKeyUMZSAHDSJUWGLF-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.62
Rot. Bonds3

About (2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate

(2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate (PubChem CID 8778526) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.13 g/mol. Its IUPAC name is (2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
PubChem CID8778526
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC Name(2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
SMILESCOc1ccccc1OC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2NO3/c1-18-10-4-2-3-5-11(10)19-13(17)8-6-9(14)12(15)16-7-8/h2-7H,1H3
InChIKeyUMZSAHDSJUWGLF-UHFFFAOYSA-N
XLogP3.62
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(4-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
CID 8881479
(2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate
CID 26100957
(2-chlorophenyl) 3,4-dimethoxybenzoate
CID 19181520
(5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate
CID 4795346
(2-chlorophenyl) 3,4,5-trimethoxybenzoate
CID 795484
5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 7936550
(2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate
CID 2242663
(2-ethoxyphenyl) 3,4-dichlorobenzoate
CID 733877
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
[3-chloro-4-(3,4-dimethoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 994063
(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
CID 3288046
1-(5,6-dichloro-3-pyridinyl)-2-methylpropan-1-one
CID 87574101

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate?
The IUPAC name of (2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate (CID 8778526) is (2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for (2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate?
The canonical SMILES for (2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate is COc1ccccc1OC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of (2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate?
The InChIKey is UMZSAHDSJUWGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c1-18-10-4-2-3-5-11(10)19-13(17)8-6-9(14)12(15)16-7-8/h2-7H,1H3.
What are the key properties of (2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate?
(2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate has a molecular weight of 298.13 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 8778526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).