2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium

C11H5F6IrN2- — CID 59757598

IUPAC2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.[Ir]
InChIInChI=1S/C11H5F6N2.Ir/c12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7;/h1-5H;/q-1;
InChIKeyBFZDXIMUZYXYIC-UHFFFAOYSA-N
MW471.38 g/mol
LogP3.74
Rot. Bonds1

About 2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium

2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium (PubChem CID 59757598) has the molecular formula C11H5F6IrN2- and a molecular weight of 471.38 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium
PubChem CID59757598
Molecular FormulaC11H5F6IrN2-
Molecular Weight471.38 g/mol
Exact Mass472.00
IUPAC Name2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.[Ir]
InChIInChI=1S/C11H5F6N2.Ir/c12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7;/h1-5H;/q-1;
InChIKeyBFZDXIMUZYXYIC-UHFFFAOYSA-N
XLogP3.74
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline
CID 163811294
2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine
CID 20807365
2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine
CID 23443905
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium
CID 20807199
2-pyridin-2-yl-6-(trifluoromethyl)pyridine
CID 72771068
ruthenium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 158678691
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
CID 154704206
CID 154704206
4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 113241920
2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine
CID 144740114
4-pyridin-2-yl-2,6-bis(trifluoromethyl)pyridine
CID 122219942
2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;iridium;pyridine-2-carboxylic acid
CID 23568218

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium (CID 59757598) is 2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium is FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.[Ir].
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium?
The InChIKey is BFZDXIMUZYXYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6N2.Ir/c12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7;/h1-5H;/q-1;.
What are the key properties of 2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium?
2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium has a molecular weight of 471.38 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium is sourced from PubChem (CID 59757598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).