4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc

C33H29F9IN9O2Zn — CID 163885219

IUPAC4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc
SMILESFC(F)(F)Cn1ccc(Cc2ccncc2)n1.Ic1ccncc1.O=Cc1ccn(CC(F)(F)F)n1.OC(c1ccncc1)c1ccn(CC(F)(F)F)n1.[Zn]
InChIInChI=1S/C11H10F3N3O.C11H10F3N3.C6H5F3N2O.C5H4IN.Zn/c12-11(13,14)7-17-6-3-9(16-17)10(18)8-1-4-15-5-2-8;12-11(13,14)8-17-6-3-10(16-17)7-9-1-4-15-5-2-9;7-6(8,9)4-11-2-1-5(3-12)10-11;6-5-1-3-7-4-2-5;/h1-6,10,18H,7H2;1-6H,7-8H2;1-3H,4H2;1-4H;
InChIKeyPWTPHOLHDPXGJY-UHFFFAOYSA-N
MW946.93 g/mol
LogP7.29
Rot. Bonds8

About 4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc

4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc (PubChem CID 163885219) has the molecular formula C33H29F9IN9O2Zn and a molecular weight of 946.93 g/mol. Its IUPAC name is 4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc.

Molecular Properties

Compound Name4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc
PubChem CID163885219
Molecular FormulaC33H29F9IN9O2Zn
Molecular Weight946.93 g/mol
Exact Mass945.06
IUPAC Name4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc
SMILESFC(F)(F)Cn1ccc(Cc2ccncc2)n1.Ic1ccncc1.O=Cc1ccn(CC(F)(F)F)n1.OC(c1ccncc1)c1ccn(CC(F)(F)F)n1.[Zn]
InChIInChI=1S/C11H10F3N3O.C11H10F3N3.C6H5F3N2O.C5H4IN.Zn/c12-11(13,14)7-17-6-3-9(16-17)10(18)8-1-4-15-5-2-8;12-11(13,14)8-17-6-3-10(16-17)7-9-1-4-15-5-2-9;7-6(8,9)4-11-2-1-5(3-12)10-11;6-5-1-3-7-4-2-5;/h1-6,10,18H,7H2;1-6H,7-8H2;1-3H,4H2;1-4H;
InChIKeyPWTPHOLHDPXGJY-UHFFFAOYSA-N
XLogP7.29
TPSA129.43 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500946.93
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Magnesium;ethane;pyridin-4-yl-[3-(2,2,2-trifluoroethyl)pyrazol-1-yl]methanone;1-pyridin-4-yl-1-[3-(2,2,2-trifluoroethyl)pyrazol-1-yl]propan-1-ol;4-[1-[3-(2,2,2-trifluoroethyl)pyrazol-1-yl]propyl]pyridine;ZINC;bromide
CID 163420849
4-Bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;ZINC
CID 163474992
5-methyl-1H-pyrazole-3-carbaldehyde;5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol
CID 163550659
Magnesium;dioxomanganese;ethane;4-methylpyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;bromide
CID 163612014
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethanone;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;2,2-difluoroethyl trifluoromethanesulfonate;4-iodopyridine;1-(1H-pyrazol-5-yl)ethanone;zinc
CID 163797632
4-[1-[4-Fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;ZINC
CID 163867437
Lithium;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;trideuteriomethane;2,2,2-trideuterio-1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;ZINC
CID 163976805
magnesium;carbanide;dioxomanganese;3-fluoro-4-iodopyridine;1-(3-fluoro-4-pyridinyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;(3-fluoro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;(3-fluoro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;3-fluoro-4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;3-fluoro-4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;3-fluoro-4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc;bromide
CID 164026130
4-Iodopyridine;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone
CID 164101667
4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde
CID 163972215

Frequently Asked Questions

What is the IUPAC name of 4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc?
The IUPAC name of 4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc (CID 163885219) is 4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc.
What is the SMILES notation for 4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc?
The canonical SMILES for 4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc is FC(F)(F)Cn1ccc(Cc2ccncc2)n1.Ic1ccncc1.O=Cc1ccn(CC(F)(F)F)n1.OC(c1ccncc1)c1ccn(CC(F)(F)F)n1.[Zn].
What is the InChIKey of 4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc?
The InChIKey is PWTPHOLHDPXGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O.C11H10F3N3.C6H5F3N2O.C5H4IN.Zn/c12-11(13,14)7-17-6-3-9(16-17)10(18)8-1-4-15-5-2-8;12-11(13,14)8-17-6-3-10(16-17)7-9-1-4-15-5-2-9;7-6(8,9)4-11-2-1-5(3-12)10-11;6-5-1-3-7-4-2-5;/h1-6,10,18H,7H2;1-6H,7-8H2;1-3H,4H2;1-4H;.
What are the key properties of 4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc?
4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc has a molecular weight of 946.93 g/mol, XLogP of 7.29, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;zinc is sourced from PubChem (CID 163885219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).