6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid

C14H10F3NO4 — CID 134631302

IUPAC6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2ccccc2OC(F)(F)F)c(C(=O)O)n1
InChIInChI=1S/C14H10F3NO4/c1-21-11-7-6-9(12(18-11)13(19)20)8-4-2-3-5-10(8)22-14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyJYMLIVIGATUIIZ-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.35
Rot. Bonds4

About 6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid

6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid (PubChem CID 134631302) has the molecular formula C14H10F3NO4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
PubChem CID134631302
Molecular FormulaC14H10F3NO4
Molecular Weight313.23 g/mol
Exact Mass313.06
IUPAC Name6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2ccccc2OC(F)(F)F)c(C(=O)O)n1
InChIInChI=1S/C14H10F3NO4/c1-21-11-7-6-9(12(18-11)13(19)20)8-4-2-3-5-10(8)22-14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyJYMLIVIGATUIIZ-UHFFFAOYSA-N
XLogP3.35
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid (CID 134631302) is 6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid is COc1ccc(-c2ccccc2OC(F)(F)F)c(C(=O)O)n1.
What is the InChIKey of 6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The InChIKey is JYMLIVIGATUIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4/c1-21-11-7-6-9(12(18-11)13(19)20)8-4-2-3-5-10(8)22-14(15,16)17/h2-7H,1H3,(H,19,20).
What are the key properties of 6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid has a molecular weight of 313.23 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 134631302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).