iridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid

C19H14F3IrN2O2- — CID 135993594

IUPACiridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid
SMILESCc1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/C13H9F3N.C6H5NO2.Ir/c1-9-7-11(10-5-3-2-4-6-10)17-12(8-9)13(14,15)16;8-6(9)5-3-1-2-4-7-5;/h2-5,7-8H,1H3;1-4H,(H,8,9);/q-1;;
InChIKeyFQJLFZZBJWTJHM-UHFFFAOYSA-N
MW551.54 g/mol
LogP4.65
Rot. Bonds2

About iridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid

iridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid (PubChem CID 135993594) has the molecular formula C19H14F3IrN2O2- and a molecular weight of 551.54 g/mol. Its IUPAC name is iridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameiridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid
PubChem CID135993594
Molecular FormulaC19H14F3IrN2O2-
Molecular Weight551.54 g/mol
Exact Mass552.06
IUPAC Nameiridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid
SMILESCc1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/C13H9F3N.C6H5NO2.Ir/c1-9-7-11(10-5-3-2-4-6-10)17-12(8-9)13(14,15)16;8-6(9)5-3-1-2-4-7-5;/h2-5,7-8H,1H3;1-4H,(H,8,9);/q-1;;
InChIKeyFQJLFZZBJWTJHM-UHFFFAOYSA-N
XLogP4.65
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.54
LogP ≤ 54.65
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

Fusaric Acid
CID 3442
6-[[2-Phenyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 60151152
6-[(6-Fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704854
Picolinic acid, 5-pentyl-
CID 212527
Picolinic acid, 5-propyl-
CID 217663
2-Pyridinecarboxylic acid, 5-(phenylmethyl)-
CID 3042842
5-(trifluoromethyl)pyridine-2-carboxylic Acid
CID 10910349
4-(Trifluoromethyl)pyridine-2-carboxylic acid
CID 12025164
3-(Trifluoromethyl)pyridine-2-carboxylic acid
CID 13233844
5-(1-Methylpyrrolidin-2-yl)pyridine-2-carboxylic acid
CID 10726960
Picolinic acid, 5-butyl-, calcium salt
CID 134800
4-ethylpyridine-2-carboxylic Acid
CID 3596580

Frequently Asked Questions

What is the IUPAC name of iridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid?
The IUPAC name of iridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid (CID 135993594) is iridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid.
What is the SMILES notation for iridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid?
The canonical SMILES for iridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid is Cc1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.O=C(O)c1ccccn1.[Ir].
What is the InChIKey of iridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid?
The InChIKey is FQJLFZZBJWTJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N.C6H5NO2.Ir/c1-9-7-11(10-5-3-2-4-6-10)17-12(8-9)13(14,15)16;8-6(9)5-3-1-2-4-7-5;/h2-5,7-8H,1H3;1-4H,(H,8,9);/q-1;;.
What are the key properties of iridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid?
iridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid has a molecular weight of 551.54 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid is sourced from PubChem (CID 135993594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).