6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc

C18H14F3N4O2Zn- — CID 58836138

IUPAC6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1.[Zn]
InChIInChI=1S/C18H15F3N4O2.Zn/c1-17(2,14-8-4-6-11(23-14)16(26)27)13-7-3-5-10(22-13)12-9-15(25-24-12)18(19,20)21;/h3-9H,1-2H3,(H2,22,24,25,26,27);/p-1
InChIKeyHGGROIDJIKREJS-UHFFFAOYSA-M
MW440.72 g/mol
LogP3.54
Rot. Bonds4

About 6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc

6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc (PubChem CID 58836138) has the molecular formula C18H14F3N4O2Zn- and a molecular weight of 440.72 g/mol. Its IUPAC name is 6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc.

Molecular Properties

Compound Name6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc
PubChem CID58836138
Molecular FormulaC18H14F3N4O2Zn-
Molecular Weight440.72 g/mol
Exact Mass439.04
IUPAC Name6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1.[Zn]
InChIInChI=1S/C18H15F3N4O2.Zn/c1-17(2,14-8-4-6-11(23-14)16(26)27)13-7-3-5-10(22-13)12-9-15(25-24-12)18(19,20)21;/h3-9H,1-2H3,(H2,22,24,25,26,27);/p-1
InChIKeyHGGROIDJIKREJS-UHFFFAOYSA-M
XLogP3.54
TPSA90.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.72
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc with MolForge

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Related Compounds

Iridium;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 23568188
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;iridium;pyridine-2-carboxylic acid
CID 23568218
6-[2-[2-[6-[3-(Trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid;ZINC
CID 58836165
platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 59399052
6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
CID 59399219
6-[2-[6-[6-(1,1,2,2,3,3,3-heptafluoropropyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
CID 59399373
platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 59399423
6-[2-[6-[2,6-bis(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
CID 59399483
Platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 59645677
Platinum;6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 59645844
6-[2-[6-[4,5-Bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
CID 59646013
platinum;6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 59646086

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc?
The IUPAC name of 6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc (CID 58836138) is 6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc.
What is the SMILES notation for 6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc?
The canonical SMILES for 6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1.[Zn].
What is the InChIKey of 6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc?
The InChIKey is HGGROIDJIKREJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15F3N4O2.Zn/c1-17(2,14-8-4-6-11(23-14)16(26)27)13-7-3-5-10(22-13)12-9-15(25-24-12)18(19,20)21;/h3-9H,1-2H3,(H2,22,24,25,26,27);/p-1.
What are the key properties of 6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc?
6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc has a molecular weight of 440.72 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;zinc is sourced from PubChem (CID 58836138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).