methyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

C15H12F3NO3 — CID 139415843

IUPACmethyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C15H12F3NO3/c1-21-13-7-12(14(20)22-2)19-8-11(13)9-3-5-10(6-4-9)15(16,17)18/h3-8H,1-2H3
InChIKeyGQSAQJHFUIZWKU-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.56
Rot. Bonds3

About methyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

methyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 139415843) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is methyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
PubChem CID139415843
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Namemethyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C15H12F3NO3/c1-21-13-7-12(14(20)22-2)19-8-11(13)9-3-5-10(6-4-9)15(16,17)18/h3-8H,1-2H3
InChIKeyGQSAQJHFUIZWKU-UHFFFAOYSA-N
XLogP3.56
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 139415843) is methyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is COC(=O)c1cc(OC)c(-c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of methyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is GQSAQJHFUIZWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-21-13-7-12(14(20)22-2)19-8-11(13)9-3-5-10(6-4-9)15(16,17)18/h3-8H,1-2H3.
What are the key properties of methyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
methyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 311.26 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 139415843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).