1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium

C9H5F2IrN2- — CID 21044150

IUPAC1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium
SMILESFc1c[c-]c(-n2cccn2)c(F)c1.[Ir]
InChIInChI=1S/C9H5F2N2.Ir/c10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;/h1-2,4-6H;/q-1;
InChIKeyZQCNPUDIXSPBOD-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.95
Rot. Bonds1

About 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium

1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium (PubChem CID 21044150) has the molecular formula C9H5F2IrN2- and a molecular weight of 371.37 g/mol. Its IUPAC name is 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium.

Molecular Properties

Compound Name1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium
PubChem CID21044150
Molecular FormulaC9H5F2IrN2-
Molecular Weight371.37 g/mol
Exact Mass372.01
IUPAC Name1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium
SMILESFc1c[c-]c(-n2cccn2)c(F)c1.[Ir]
InChIInChI=1S/C9H5F2N2.Ir/c10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;/h1-2,4-6H;/q-1;
InChIKeyZQCNPUDIXSPBOD-UHFFFAOYSA-N
XLogP1.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 21044134
Platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 21044135
Iridium;1-(3-propylbenzene-2-id-1-yl)-4-(trifluoromethyl)pyrazole
CID 58621152
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole
CID 59360766
1-(3-Fluorobuta-1,3-dien-2-yl)pyrazole
CID 126625893
Iridium;1-(3-isocyanobenzene-6-id-1-yl)-3-(trifluoromethyl)pyrazole
CID 155646377
1-(2,3,4,5,6-Pentafluorocyclohexa-1,5-dien-1-yl)pyrazole
CID 23261566
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]pyrazole
CID 153554155
Magnesium;1-phenylpyrazole;bromide
CID 13203472
1-(3,4-Difluorobenzene-6-id-1-yl)pyrazole;yttrium;ZINC
CID 20747767
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole;platinum
CID 21044151
1-Phenylpyrazole;platinum
CID 21044154

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium?
The IUPAC name of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium (CID 21044150) is 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium.
What is the SMILES notation for 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium?
The canonical SMILES for 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium is Fc1c[c-]c(-n2cccn2)c(F)c1.[Ir].
What is the InChIKey of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium?
The InChIKey is ZQCNPUDIXSPBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N2.Ir/c10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;/h1-2,4-6H;/q-1;.
What are the key properties of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium?
1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium has a molecular weight of 371.37 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium is sourced from PubChem (CID 21044150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).