methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate

C14H9ClF3NO2 — CID 134635513

IUPACmethyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Cl)c(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H9ClF3NO2/c1-21-13(20)11-6-5-10(15)12(19-11)8-3-2-4-9(7-8)14(16,17)18/h2-7H,1H3
InChIKeyUBTSMEBZTLILSV-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.21
Rot. Bonds2

About methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate

methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 134635513) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
PubChem CID134635513
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Namemethyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Cl)c(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H9ClF3NO2/c1-21-13(20)11-6-5-10(15)12(19-11)8-3-2-4-9(7-8)14(16,17)18/h2-7H,1H3
InChIKeyUBTSMEBZTLILSV-UHFFFAOYSA-N
XLogP4.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylate
CID 170701250
methyl 6-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 133089907
methyl 7-chloro-3-methyl-6-methylsulfanyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
CID 67384097
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
[5-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134625740
methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 131871458
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635398
methyl 6-(trifluoromethyl)quinoline-2-carboxylate
CID 82245392
methyl 2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]benzoate
CID 134622903

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 134635513) is methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate is COC(=O)c1ccc(Cl)c(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is UBTSMEBZTLILSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c1-21-13(20)11-6-5-10(15)12(19-11)8-3-2-4-9(7-8)14(16,17)18/h2-7H,1H3.
What are the key properties of methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 315.68 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 134635513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).