iridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide

C14H11F3IrN3O3- — CID 23568186

IUPACiridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
SMILESO=C(O)c1ccccn1.O=C([N-]Cc1ccccn1)C(F)(F)F.[Ir]
InChIInChI=1S/C8H7F3N2O.C6H5NO2.Ir/c9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;8-6(9)5-3-1-2-4-7-5;/h1-4H,5H2,(H,13,14);1-4H,(H,8,9);/p-1
InChIKeyPJUIDYYMFXOIFY-UHFFFAOYSA-M
MW518.47 g/mol
LogP2.82
Rot. Bonds3

About iridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide

iridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide (PubChem CID 23568186) has the molecular formula C14H11F3IrN3O3- and a molecular weight of 518.47 g/mol. Its IUPAC name is iridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide.

Molecular Properties

Compound Nameiridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
PubChem CID23568186
Molecular FormulaC14H11F3IrN3O3-
Molecular Weight518.47 g/mol
Exact Mass519.04
IUPAC Nameiridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
SMILESO=C(O)c1ccccn1.O=C([N-]Cc1ccccn1)C(F)(F)F.[Ir]
InChIInChI=1S/C8H7F3N2O.C6H5NO2.Ir/c9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;8-6(9)5-3-1-2-4-7-5;/h1-4H,5H2,(H,13,14);1-4H,(H,8,9);/p-1
InChIKeyPJUIDYYMFXOIFY-UHFFFAOYSA-M
XLogP2.82
TPSA94.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Chromium tripicolinate
CID 56840998
Calcium dipicolinate trihydrate
CID 129655055
(SP-4-1)-Bis(2-pyridinecarboxylato-|EN1,|EO2)copper
CID 24182871
1-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxylic acid
CID 43477033
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
2,2'-Bipyridine-6-carboxylic acid
CID 11030830
copper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate
CID 50897049
Zinc picolinate, AldrichCPR
CID 91866868

Frequently Asked Questions

What is the IUPAC name of iridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide?
The IUPAC name of iridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide (CID 23568186) is iridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide.
What is the SMILES notation for iridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide?
The canonical SMILES for iridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide is O=C(O)c1ccccn1.O=C([N-]Cc1ccccn1)C(F)(F)F.[Ir].
What is the InChIKey of iridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide?
The InChIKey is PJUIDYYMFXOIFY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7F3N2O.C6H5NO2.Ir/c9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;8-6(9)5-3-1-2-4-7-5;/h1-4H,5H2,(H,13,14);1-4H,(H,8,9);/p-1.
What are the key properties of iridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide?
iridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide has a molecular weight of 518.47 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide is sourced from PubChem (CID 23568186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).