methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate

C15H12F3NO4 — CID 134635686

IUPACmethyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO4/c1-21-12-8-7-11(13(19-12)14(20)22-2)9-3-5-10(6-4-9)23-15(16,17)18/h3-8H,1-2H3
InChIKeyARWHKFNDXHKBPY-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.44
Rot. Bonds4

About methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate

methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate (PubChem CID 134635686) has the molecular formula C15H12F3NO4 and a molecular weight of 327.26 g/mol. Its IUPAC name is methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
PubChem CID134635686
Molecular FormulaC15H12F3NO4
Molecular Weight327.26 g/mol
Exact Mass327.07
IUPAC Namemethyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO4/c1-21-12-8-7-11(13(19-12)14(20)22-2)9-3-5-10(6-4-9)23-15(16,17)18/h3-8H,1-2H3
InChIKeyARWHKFNDXHKBPY-UHFFFAOYSA-N
XLogP3.44
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-methoxy-3-pyridin-4-ylpyridine-2-carboxylate
CID 46317644
2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
CID 134631328
6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 133089210
methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 133086897
methyl 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134635369
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 167450862
3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 71461082
methyl 6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666359
methyl 3-pyridin-4-yl-6-(trifluoromethyl)pyridine-2-carboxylate
CID 46317652
5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228264
methyl 3-methyl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxylate
CID 44818306

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate (CID 134635686) is methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate is COC(=O)c1nc(OC)ccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
The InChIKey is ARWHKFNDXHKBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4/c1-21-12-8-7-11(13(19-12)14(20)22-2)9-3-5-10(6-4-9)23-15(16,17)18/h3-8H,1-2H3.
What are the key properties of methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate has a molecular weight of 327.26 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 134635686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).