2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

C15H12F3NO4 — CID 53224496

IUPAC2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(C(F)(F)F)cc1-c1cnc(OC)c(C(=O)O)c1
InChIInChI=1S/C15H12F3NO4/c1-22-12-4-3-9(15(16,17)18)6-10(12)8-5-11(14(20)21)13(23-2)19-7-8/h3-7H,1-2H3,(H,20,21)
InChIKeyPKMBHMIXMZXIMI-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.48
Rot. Bonds4

About 2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 53224496) has the molecular formula C15H12F3NO4 and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID53224496
Molecular FormulaC15H12F3NO4
Molecular Weight327.26 g/mol
Exact Mass327.07
IUPAC Name2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(C(F)(F)F)cc1-c1cnc(OC)c(C(=O)O)c1
InChIInChI=1S/C15H12F3NO4/c1-22-12-4-3-9(15(16,17)18)6-10(12)8-5-11(14(20)21)13(23-2)19-7-8/h3-7H,1-2H3,(H,20,21)
InChIKeyPKMBHMIXMZXIMI-UHFFFAOYSA-N
XLogP3.48
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53218469
2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134620786
3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53228592
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4619139
5-(2,4-dimethylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53222707
2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222794
5-(3-fluorophenyl)-2-methoxypyridine-3-carboxylic acid
CID 46314070
5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 82631175
2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53223935
5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223784
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
CID 46317360

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 53224496) is 2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is COc1ccc(C(F)(F)F)cc1-c1cnc(OC)c(C(=O)O)c1.
What is the InChIKey of 2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is PKMBHMIXMZXIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4/c1-22-12-4-3-9(15(16,17)18)6-10(12)8-5-11(14(20)21)13(23-2)19-7-8/h3-7H,1-2H3,(H,20,21).
What are the key properties of 2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 327.26 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53224496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).