methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate

C14H9ClF3NO3 — CID 134635647

IUPACmethyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2OC(F)(F)F)c(Cl)n1
InChIInChI=1S/C14H9ClF3NO3/c1-21-13(20)10-7-6-9(12(15)19-10)8-4-2-3-5-11(8)22-14(16,17)18/h2-7H,1H3
InChIKeyMGQBMBYYEPPERX-UHFFFAOYSA-N
MW331.68 g/mol
LogP4.09
Rot. Bonds3

About methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate

methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate (PubChem CID 134635647) has the molecular formula C14H9ClF3NO3 and a molecular weight of 331.68 g/mol. Its IUPAC name is methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
PubChem CID134635647
Molecular FormulaC14H9ClF3NO3
Molecular Weight331.68 g/mol
Exact Mass331.02
IUPAC Namemethyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2OC(F)(F)F)c(Cl)n1
InChIInChI=1S/C14H9ClF3NO3/c1-21-13(20)10-7-6-9(12(15)19-10)8-4-2-3-5-11(8)22-14(16,17)18/h2-7H,1H3
InChIKeyMGQBMBYYEPPERX-UHFFFAOYSA-N
XLogP4.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 54.09
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 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate
CID 58774798
methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 11394687
6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 133089211
methyl 5-amino-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 168665377
methyl 1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate
CID 170457610
methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 133089142
methyl 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134633894
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636636
methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635550
methyl 3-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635680
methyl 3-nitro-4-[2-(trifluoromethoxy)phenyl]benzoate
CID 134634430

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate (CID 134635647) is methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate is COC(=O)c1ccc(-c2ccccc2OC(F)(F)F)c(Cl)n1.
What is the InChIKey of methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
The InChIKey is MGQBMBYYEPPERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO3/c1-21-13(20)10-7-6-9(12(15)19-10)8-4-2-3-5-11(8)22-14(16,17)18/h2-7H,1H3.
What are the key properties of methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate has a molecular weight of 331.68 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 134635647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).