methyl 6-chloro-4-methoxypyridine-2-carboxylate

C8H8ClNO3 — CID 45489866

IUPACmethyl 6-chloro-4-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)cc(Cl)n1
InChIInChI=1S/C8H8ClNO3/c1-12-5-3-6(8(11)13-2)10-7(9)4-5/h3-4H,1-2H3
InChIKeyPCBQMUWCNOOYDT-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.53
Rot. Bonds2

About methyl 6-chloro-4-methoxypyridine-2-carboxylate

methyl 6-chloro-4-methoxypyridine-2-carboxylate (PubChem CID 45489866) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is methyl 6-chloro-4-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-4-methoxypyridine-2-carboxylate
PubChem CID45489866
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Namemethyl 6-chloro-4-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)cc(Cl)n1
InChIInChI=1S/C8H8ClNO3/c1-12-5-3-6(8(11)13-2)10-7(9)4-5/h3-4H,1-2H3
InChIKeyPCBQMUWCNOOYDT-UHFFFAOYSA-N
XLogP1.53
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide
CID 23002405
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate
CID 102184443
methyl 2-chloro-6-(4-methoxyphenyl)pyridine-4-carboxylate
CID 91873021
methyl 6-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 87349798
2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid
CID 23002380
methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134669578
methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate
CID 63376981
methyl 4,6,7-trichloroquinoline-2-carboxylate
CID 34173870
dimethyl 4-(trifluoromethylsulfonyloxy)pyridine-2,6-dicarboxylate
CID 10712378
carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate
CID 158534965
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 6-chloro-4-methoxypyridine-2-carboxylate (CID 45489866) is methyl 6-chloro-4-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-4-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-4-methoxypyridine-2-carboxylate is COC(=O)c1cc(OC)cc(Cl)n1.
What is the InChIKey of methyl 6-chloro-4-methoxypyridine-2-carboxylate?
The InChIKey is PCBQMUWCNOOYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-12-5-3-6(8(11)13-2)10-7(9)4-5/h3-4H,1-2H3.
What are the key properties of methyl 6-chloro-4-methoxypyridine-2-carboxylate?
methyl 6-chloro-4-methoxypyridine-2-carboxylate has a molecular weight of 201.61 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-4-methoxypyridine-2-carboxylate is sourced from PubChem (CID 45489866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).