6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid

C10H4F3NO8 — CID 139991265

IUPAC6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C10H4F3NO8/c11-10(12,13)5-3(8(19)20)1(6(15)16)2(7(17)18)4(14-5)9(21)22/h(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyCOEBJBCETRAONH-UHFFFAOYSA-N
MW323.14 g/mol
LogP0.89
Rot. Bonds4

About 6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid

6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid (PubChem CID 139991265) has the molecular formula C10H4F3NO8 and a molecular weight of 323.14 g/mol. Its IUPAC name is 6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid
PubChem CID139991265
Molecular FormulaC10H4F3NO8
Molecular Weight323.14 g/mol
Exact Mass322.99
IUPAC Name6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C10H4F3NO8/c11-10(12,13)5-3(8(19)20)1(6(15)16)2(7(17)18)4(14-5)9(21)22/h(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyCOEBJBCETRAONH-UHFFFAOYSA-N
XLogP0.89
TPSA162.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid?
The IUPAC name of 6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid (CID 139991265) is 6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid.
What is the SMILES notation for 6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid?
The canonical SMILES for 6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid is O=C(O)c1nc(C(F)(F)F)c(C(=O)O)c(C(=O)O)c1C(=O)O.
What is the InChIKey of 6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid?
The InChIKey is COEBJBCETRAONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F3NO8/c11-10(12,13)5-3(8(19)20)1(6(15)16)2(7(17)18)4(14-5)9(21)22/h(H,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid?
6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid has a molecular weight of 323.14 g/mol, XLogP of 0.89, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid is sourced from PubChem (CID 139991265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).