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

C11H8F3IrN2- — CID 58567855

IUPACiridium;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine
SMILESCc1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.[Ir]
InChIInChI=1S/C11H8F3N2.Ir/c1-7-6-8(11(12,13)14)10(16-7)9-4-2-3-5-15-9;/h2-6H,1H3;/q-1;
InChIKeyVWIMXUFZENYCMP-UHFFFAOYSA-N
MW417.41 g/mol
LogP3.03
Rot. Bonds1

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

iridium;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine (PubChem CID 58567855) has the molecular formula C11H8F3IrN2- and a molecular weight of 417.41 g/mol. Its IUPAC name is iridium;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine.

Molecular Properties

Compound Nameiridium;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine
PubChem CID58567855
Molecular FormulaC11H8F3IrN2-
Molecular Weight417.41 g/mol
Exact Mass418.03
IUPAC Nameiridium;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine
SMILESCc1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.[Ir]
InChIInChI=1S/C11H8F3N2.Ir/c1-7-6-8(11(12,13)14)10(16-7)9-4-2-3-5-15-9;/h2-6H,1H3;/q-1;
InChIKeyVWIMXUFZENYCMP-UHFFFAOYSA-N
XLogP3.03
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 14338
Nicotyrine
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Mls000104384
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CID 25156769
[2-(5,6-Difluoro-indol-1-yl)-ethyl]-dimethyl-amine
CID 44287190
2-Methyl-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 11842228
Indoline, 1-(2-pyridylmethyl)-
CID 210102
5,5'-Bis(trifluoromethyl)-2,2'-bipyridyl
CID 589903
4-Methyl-2,2'-bipyridine
CID 11019291
1,6-Dimethyl-2-phenyl-4,5-dihydro-3a,5a-diaza-as-indacene
CID 778625
Indolizine, 3-(3-(dimethylamino)propyl)-2-methyl-
CID 47675
Indolizine, 3-(3-(diethylamino)propyl)-2-methyl-
CID 47681

Frequently Asked Questions

What is the IUPAC name of iridium;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine?
The IUPAC name of iridium;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine (CID 58567855) is iridium;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine.
What is the SMILES notation for iridium;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine?
The canonical SMILES for iridium;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine is Cc1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.[Ir].
What is the InChIKey of iridium;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine?
The InChIKey is VWIMXUFZENYCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N2.Ir/c1-7-6-8(11(12,13)14)10(16-7)9-4-2-3-5-15-9;/h2-6H,1H3;/q-1;.
What are the key properties of iridium;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine?
iridium;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine has a molecular weight of 417.41 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine is sourced from PubChem (CID 58567855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).