platinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine

C26H14F9N2O2Pt- — CID 58939583

IUPACplatinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccc[c-]c2-c2ccccn2)c(C(F)(F)F)c1.O=C(O)c1ccccn1.[Pt]
InChIInChI=1S/C20H9F9N.C6H5NO2.Pt/c21-18(22,23)11-9-14(19(24,25)26)17(15(10-11)20(27,28)29)13-6-2-1-5-12(13)16-7-3-4-8-30-16;8-6(9)5-3-1-2-4-7-5;/h1-4,6-10H;1-4H,(H,8,9);/q-1;;
InChIKeyVXTCGJBUNLJTJV-UHFFFAOYSA-N
MW752.47 g/mol
LogP8.05
Rot. Bonds3

About platinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine

platinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine (PubChem CID 58939583) has the molecular formula C26H14F9N2O2Pt- and a molecular weight of 752.47 g/mol. Its IUPAC name is platinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Nameplatinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
PubChem CID58939583
Molecular FormulaC26H14F9N2O2Pt-
Molecular Weight752.47 g/mol
Exact Mass752.06
IUPAC Nameplatinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccc[c-]c2-c2ccccn2)c(C(F)(F)F)c1.O=C(O)c1ccccn1.[Pt]
InChIInChI=1S/C20H9F9N.C6H5NO2.Pt/c21-18(22,23)11-9-14(19(24,25)26)17(15(10-11)20(27,28)29)13-6-2-1-5-12(13)16-7-3-4-8-30-16;8-6(9)5-3-1-2-4-7-5;/h1-4,6-10H;1-4H,(H,8,9);/q-1;;
InChIKeyVXTCGJBUNLJTJV-UHFFFAOYSA-N
XLogP8.05
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.47
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6-[[2-Phenyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 60151152
[3,3'-Bipyridine]-6-carboxylic acid
CID 46316070
5-[4-(Trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983951
5-(Naphthalen-1-yl)picolinic acid
CID 53211461
5-[6-(4,4-Difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid
CID 154667297
6-Methylisoquinoline-3-carboxylic acid hydrochloride
CID 155943691
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-cuprabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594095
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-cadmabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594096
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-zincabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594097
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-manganabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594098
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-ferrabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594099
[3,4'-Bipyridine]-6-carboxylic acid
CID 46316071

Frequently Asked Questions

What is the IUPAC name of platinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?
The IUPAC name of platinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine (CID 58939583) is platinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine.
What is the SMILES notation for platinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?
The canonical SMILES for platinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine is FC(F)(F)c1cc(C(F)(F)F)c(-c2ccc[c-]c2-c2ccccn2)c(C(F)(F)F)c1.O=C(O)c1ccccn1.[Pt].
What is the InChIKey of platinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?
The InChIKey is VXTCGJBUNLJTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9F9N.C6H5NO2.Pt/c21-18(22,23)11-9-14(19(24,25)26)17(15(10-11)20(27,28)29)13-6-2-1-5-12(13)16-7-3-4-8-30-16;8-6(9)5-3-1-2-4-7-5;/h1-4,6-10H;1-4H,(H,8,9);/q-1;;.
What are the key properties of platinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?
platinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine has a molecular weight of 752.47 g/mol, XLogP of 8.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;pyridine-2-carboxylic acid;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 58939583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).