copper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid)

C52H36Cu2F12N8O8 — CID 85470839

IUPACcopper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid)
SMILESO=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1.O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1.O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1.O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1.[Cu].[Cu]
InChIInChI=1S/4C13H9F3N2O2.2Cu/c4*14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11;;/h4*1-7H,(H,17,18)(H,19,20);;
InChIKeyZXYRFYMWSCDYOH-UHFFFAOYSA-N
MW1255.98 g/mol
LogP14.16
Rot. Bonds12

About copper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid)

copper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid) (PubChem CID 85470839) has the molecular formula C52H36Cu2F12N8O8 and a molecular weight of 1255.98 g/mol. Its IUPAC name is copper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid).

Molecular Properties

Compound Namecopper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid)
PubChem CID85470839
Molecular FormulaC52H36Cu2F12N8O8
Molecular Weight1255.98 g/mol
Exact Mass1254.11
IUPAC Namecopper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid)
SMILESO=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1.O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1.O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1.O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1.[Cu].[Cu]
InChIInChI=1S/4C13H9F3N2O2.2Cu/c4*14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11;;/h4*1-7H,(H,17,18)(H,19,20);;
InChIKeyZXYRFYMWSCDYOH-UHFFFAOYSA-N
XLogP14.16
TPSA248.88 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001255.98
LogP ≤ 514.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of copper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid)?
The IUPAC name of copper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid) (CID 85470839) is copper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid).
What is the SMILES notation for copper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid)?
The canonical SMILES for copper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid) is O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1.O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1.O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1.O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1.[Cu].[Cu].
What is the InChIKey of copper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid)?
The InChIKey is ZXYRFYMWSCDYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H9F3N2O2.2Cu/c4*14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11;;/h4*1-7H,(H,17,18)(H,19,20);;.
What are the key properties of copper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid)?
copper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid) has a molecular weight of 1255.98 g/mol, XLogP of 14.16, 12 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid) is sourced from PubChem (CID 85470839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).