methyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate

C13H9ClFNO3 — CID 134204706

IUPACmethyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(F)cc2)nc1Cl
InChIInChI=1S/C13H9ClFNO3/c1-18-13(17)10-6-7-11(16-12(10)14)19-9-4-2-8(15)3-5-9/h2-7H,1H3
InChIKeyYHOCAOCFRZCXDT-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.45
Rot. Bonds3

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

methyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate (PubChem CID 134204706) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is methyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate
PubChem CID134204706
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Namemethyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(F)cc2)nc1Cl
InChIInChI=1S/C13H9ClFNO3/c1-18-13(17)10-6-7-11(16-12(10)14)19-9-4-2-8(15)3-5-9/h2-7H,1H3
InChIKeyYHOCAOCFRZCXDT-UHFFFAOYSA-N
XLogP3.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.45
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

Methyl 3-[(6-chloro-2-pyridinyl)oxy]benzenecarboxylate
CID 3784687
4-Fluorophenyl pyridine-3-carboxylate
CID 5043073
2-Chloro-6-methoxypyridine-3-carboxylic acid
CID 11769266
Methyl 5-cyano-6-(4-fluorophenoxy)-2-methylnicotinate
CID 1471656
3-Pyridinecarboxylic acid, 2-(4-chlorophenoxy)-2-methylpropyl ester
CID 215693
2-Chloro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 49871142
6-Chloro-2-(4-fluorophenoxy)-4-methylpyridine-3-carboxamide
CID 686763
6-(2-Fluorophenoxy)-3-pyridinecarboxylic acid
CID 16789793
6-(4-Fluorophenoxy)pyridine-3-carboxylic acid
CID 16790578
Methyl 5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate
CID 1471661
Ethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate
CID 2746347
2-(2-Methylpropoxy)-6-phenoxypyridine-3-carboxylic acid
CID 168270110

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate (CID 134204706) is methyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate is COC(=O)c1ccc(Oc2ccc(F)cc2)nc1Cl.
What is the InChIKey of methyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate?
The InChIKey is YHOCAOCFRZCXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c1-18-13(17)10-6-7-11(16-12(10)14)19-9-4-2-8(15)3-5-9/h2-7H,1H3.
What are the key properties of methyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate?
methyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate has a molecular weight of 281.67 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134204706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).