bis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)

C28H14F8I4N6 — CID 139194792

IUPACbis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)
SMILESFc1c(F)c(I)c(F)c(F)c1I.Fc1c(F)c(I)c(F)c(F)c1I.c1cc(-c2ccn[nH]2)ccn1.c1cc(-c2ccn[nH]2)ccn1
InChIInChI=1S/2C8H7N3.2C6F4I2/c2*1-4-9-5-2-7(1)8-3-6-10-11-8;2*7-1-2(8)6(12)4(10)3(9)5(1)11/h2*1-6H,(H,10,11);;
InChIKeyOISGNOUSJRCJQM-UHFFFAOYSA-N
MW1094.06 g/mol
LogP9.85
Rot. Bonds2

About bis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)

bis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene) (PubChem CID 139194792) has the molecular formula C28H14F8I4N6 and a molecular weight of 1094.06 g/mol. Its IUPAC name is bis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene).

Molecular Properties

Compound Namebis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)
PubChem CID139194792
Molecular FormulaC28H14F8I4N6
Molecular Weight1094.06 g/mol
Exact Mass1093.73
IUPAC Namebis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)
SMILESFc1c(F)c(I)c(F)c(F)c1I.Fc1c(F)c(I)c(F)c(F)c1I.c1cc(-c2ccn[nH]2)ccn1.c1cc(-c2ccn[nH]2)ccn1
InChIInChI=1S/2C8H7N3.2C6F4I2/c2*1-4-9-5-2-7(1)8-3-6-10-11-8;2*7-1-2(8)6(12)4(10)3(9)5(1)11/h2*1-6H,(H,10,11);;
InChIKeyOISGNOUSJRCJQM-UHFFFAOYSA-N
XLogP9.85
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001094.06
LogP ≤ 59.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

GW-6604
CID 9861063
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
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4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093324
2-[4-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
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4-[3-(2-Pyridinyl)-1h-pyrazol-4-yl]-2-[4-(1-pyrrolidinylmethyl)phenyl]pyridine
CID 10293214
2-[3-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11588676
2-[2-fluorophenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11638261
4-(3-(4-fluorophenyl)-5-(piperidin-3-yl)-1H-pyrazol-4-yl)pyridine
CID 22037206
4-(3-(4-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037479
4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl)pyridine
CID 22037660
4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22953832

Frequently Asked Questions

What is the IUPAC name of bis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)?
The IUPAC name of bis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene) (CID 139194792) is bis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene).
What is the SMILES notation for bis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)?
The canonical SMILES for bis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene) is Fc1c(F)c(I)c(F)c(F)c1I.Fc1c(F)c(I)c(F)c(F)c1I.c1cc(-c2ccn[nH]2)ccn1.c1cc(-c2ccn[nH]2)ccn1.
What is the InChIKey of bis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)?
The InChIKey is OISGNOUSJRCJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7N3.2C6F4I2/c2*1-4-9-5-2-7(1)8-3-6-10-11-8;2*7-1-2(8)6(12)4(10)3(9)5(1)11/h2*1-6H,(H,10,11);;.
What are the key properties of bis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)?
bis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene) has a molecular weight of 1094.06 g/mol, XLogP of 9.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(1H-pyrazol-5-yl)pyridine);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene) is sourced from PubChem (CID 139194792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).