2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium

C9H4F4IrN3- — CID 20807259

IUPAC2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium
SMILESFc1c(C(F)(F)F)n[n-]c1-c1ccccn1.[Ir]
InChIInChI=1S/C9H4F4N3.Ir/c10-6-7(5-3-1-2-4-14-5)15-16-8(6)9(11,12)13;/h1-4H;/q-1;
InChIKeyULVNLWITYJSXCR-UHFFFAOYSA-N
MW422.36 g/mol
LogP2.26
Rot. Bonds1

About 2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium

2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium (PubChem CID 20807259) has the molecular formula C9H4F4IrN3- and a molecular weight of 422.36 g/mol. Its IUPAC name is 2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium.

Molecular Properties

Compound Name2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium
PubChem CID20807259
Molecular FormulaC9H4F4IrN3-
Molecular Weight422.36 g/mol
Exact Mass423.00
IUPAC Name2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium
SMILESFc1c(C(F)(F)F)n[n-]c1-c1ccccn1.[Ir]
InChIInChI=1S/C9H4F4N3.Ir/c10-6-7(5-3-1-2-4-14-5)15-16-8(6)9(11,12)13;/h1-4H;/q-1;
InChIKeyULVNLWITYJSXCR-UHFFFAOYSA-N
XLogP2.26
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrazolo(1,5-a)pyridine
CID 67507
3-(Pyridine-2-yl)-5-trifluoromethylpyrazole
CID 611600
3-(4-Fluoro-phenyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992496
2-Pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 53391873
2-Fluoro-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 332941
2-(1-(3,5-Difluorophenyl)-1hpyrazol-3-yl)pyridine
CID 10149247
2-(1-Pentafluorophenyl-1h-pyrazol-3-yl)-pyridine
CID 10308505
Pyridine, 3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-
CID 11218127
2,3-Bis(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 12777793
3-Fluoropyrazolo[1,5-a]pyridine
CID 22281743
5-Pyrazol-1-yl-2-trifluoromethyl-pyridine
CID 117753263
2,6-Bis((3,5-bis(trifluoromethyl)-1h-pyrazol-1-yl)methyl)pyridine
CID 122630463

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium?
The IUPAC name of 2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium (CID 20807259) is 2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium.
What is the SMILES notation for 2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium?
The canonical SMILES for 2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium is Fc1c(C(F)(F)F)n[n-]c1-c1ccccn1.[Ir].
What is the InChIKey of 2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium?
The InChIKey is ULVNLWITYJSXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N3.Ir/c10-6-7(5-3-1-2-4-14-5)15-16-8(6)9(11,12)13;/h1-4H;/q-1;.
What are the key properties of 2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium?
2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium has a molecular weight of 422.36 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium is sourced from PubChem (CID 20807259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).