4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid

C13H9F3N2O3 — CID 139424787

IUPAC4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid
SMILESCOc1cc(C(=O)O)ncc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H9F3N2O3/c1-21-10-4-9(12(19)20)17-6-8(10)7-2-3-11(18-5-7)13(14,15)16/h2-6H,1H3,(H,19,20)
InChIKeyFSIGGKWQZFJEBW-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.87
Rot. Bonds3

About 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid

4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 139424787) has the molecular formula C13H9F3N2O3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid
PubChem CID139424787
Molecular FormulaC13H9F3N2O3
Molecular Weight298.22 g/mol
Exact Mass298.06
IUPAC Name4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid
SMILESCOc1cc(C(=O)O)ncc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H9F3N2O3/c1-21-10-4-9(12(19)20)17-6-8(10)7-2-3-11(18-5-7)13(14,15)16/h2-6H,1H3,(H,19,20)
InChIKeyFSIGGKWQZFJEBW-UHFFFAOYSA-N
XLogP2.87
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid (CID 139424787) is 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid is COc1cc(C(=O)O)ncc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is FSIGGKWQZFJEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3/c1-21-10-4-9(12(19)20)17-6-8(10)7-2-3-11(18-5-7)13(14,15)16/h2-6H,1H3,(H,19,20).
What are the key properties of 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid?
4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 298.22 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 139424787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).