2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid

C15H12F3NO4 — CID 172909587

IUPAC2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1cc(OC)cc(-c2ncc(C(F)(F)F)cc2C(=O)O)c1
InChIInChI=1S/C15H12F3NO4/c1-22-10-3-8(4-11(6-10)23-2)13-12(14(20)21)5-9(7-19-13)15(16,17)18/h3-7H,1-2H3,(H,20,21)
InChIKeyMWZSGQYTQHOORK-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.48
Rot. Bonds4

About 2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid

2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 172909587) has the molecular formula C15H12F3NO4 and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID172909587
Molecular FormulaC15H12F3NO4
Molecular Weight327.26 g/mol
Exact Mass327.07
IUPAC Name2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1cc(OC)cc(-c2ncc(C(F)(F)F)cc2C(=O)O)c1
InChIInChI=1S/C15H12F3NO4/c1-22-10-3-8(4-11(6-10)23-2)13-12(14(20)21)5-9(7-19-13)15(16,17)18/h3-7H,1-2H3,(H,20,21)
InChIKeyMWZSGQYTQHOORK-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

2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909581
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909577
2,5-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 119013467
methyl 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134633979
2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134618070
1-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53423580
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118819339
5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223784
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118847412
2-(2,3-difluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118808003
ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156850074
2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 105476930

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 172909587) is 2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid is COc1cc(OC)cc(-c2ncc(C(F)(F)F)cc2C(=O)O)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is MWZSGQYTQHOORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4/c1-22-10-3-8(4-11(6-10)23-2)13-12(14(20)21)5-9(7-19-13)15(16,17)18/h3-7H,1-2H3,(H,20,21).
What are the key properties of 2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)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-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 172909587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).