6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid

C14H6F6N2O4 — CID 102113105

IUPAC6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(C(=O)O)n2)n1
InChIInChI=1S/C14H6F6N2O4/c15-13(16,17)5-1-7(21-9(3-5)11(23)24)8-2-6(14(18,19)20)4-10(22-8)12(25)26/h1-4H,(H,23,24)(H,25,26)
InChIKeyWUYSIQFFHLBXBN-UHFFFAOYSA-N
MW380.20 g/mol
LogP3.58
Rot. Bonds3

About 6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid

6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 102113105) has the molecular formula C14H6F6N2O4 and a molecular weight of 380.20 g/mol. Its IUPAC name is 6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID102113105
Molecular FormulaC14H6F6N2O4
Molecular Weight380.20 g/mol
Exact Mass380.02
IUPAC Name6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(C(=O)O)n2)n1
InChIInChI=1S/C14H6F6N2O4/c15-13(16,17)5-1-7(21-9(3-5)11(23)24)8-2-6(14(18,19)20)4-10(22-8)12(25)26/h1-4H,(H,23,24)(H,25,26)
InChIKeyWUYSIQFFHLBXBN-UHFFFAOYSA-N
XLogP3.58
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.20
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid (CID 102113105) is 6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(C(=O)O)n2)n1.
What is the InChIKey of 6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is WUYSIQFFHLBXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F6N2O4/c15-13(16,17)5-1-7(21-9(3-5)11(23)24)8-2-6(14(18,19)20)4-10(22-8)12(25)26/h1-4H,(H,23,24)(H,25,26).
What are the key properties of 6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid?
6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 380.20 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 102113105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).