[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid

C20H16F3N2O3Pt- — CID 91867209

IUPAC[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid
SMILESCc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.O=C(O)c1ccccn1.[Pt]
InChIInChI=1S/C14H11F3NO.C6H5NO2.Pt/c1-9-4-11(7-12(5-9)14(15,16)17)13-6-10(8-19)2-3-18-13;8-6(9)5-3-1-2-4-7-5;/h2-6,19H,8H2,1H3;1-4H,(H,8,9);/q-1;;
InChIKeyQTYWLGIKFSKHME-UHFFFAOYSA-N
MW584.43 g/mol
LogP4.15
Rot. Bonds3

About [2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid

[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid (PubChem CID 91867209) has the molecular formula C20H16F3N2O3Pt- and a molecular weight of 584.43 g/mol. Its IUPAC name is [2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid
PubChem CID91867209
Molecular FormulaC20H16F3N2O3Pt-
Molecular Weight584.43 g/mol
Exact Mass584.08
IUPAC Name[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid
SMILESCc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.O=C(O)c1ccccn1.[Pt]
InChIInChI=1S/C14H11F3NO.C6H5NO2.Pt/c1-9-4-11(7-12(5-9)14(15,16)17)13-6-10(8-19)2-3-18-13;8-6(9)5-3-1-2-4-7-5;/h2-6,19H,8H2,1H3;1-4H,(H,8,9);/q-1;;
InChIKeyQTYWLGIKFSKHME-UHFFFAOYSA-N
XLogP4.15
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid?
The IUPAC name of [2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid (CID 91867209) is [2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid.
What is the SMILES notation for [2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid?
The canonical SMILES for [2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid is Cc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.O=C(O)c1ccccn1.[Pt].
What is the InChIKey of [2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid?
The InChIKey is QTYWLGIKFSKHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3NO.C6H5NO2.Pt/c1-9-4-11(7-12(5-9)14(15,16)17)13-6-10(8-19)2-3-18-13;8-6(9)5-3-1-2-4-7-5;/h2-6,19H,8H2,1H3;1-4H,(H,8,9);/q-1;;.
What are the key properties of [2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid?
[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid has a molecular weight of 584.43 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum;pyridine-2-carboxylic acid is sourced from PubChem (CID 91867209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).