2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol

C14H10ClF3N4O — CID 88975387

IUPAC2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESOC1(C(F)(F)F)CC(c2cccnc2)=NN1c1ccc(Cl)nc1
InChIInChI=1S/C14H10ClF3N4O/c15-12-4-3-10(8-20-12)22-13(23,14(16,17)18)6-11(21-22)9-2-1-5-19-7-9/h1-5,7-8,23H,6H2
InChIKeyFBWNOLHOHZOLOG-UHFFFAOYSA-N
MW342.71 g/mol
LogP3.00
Rot. Bonds2

About 2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol

2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 88975387) has the molecular formula C14H10ClF3N4O and a molecular weight of 342.71 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID88975387
Molecular FormulaC14H10ClF3N4O
Molecular Weight342.71 g/mol
Exact Mass342.05
IUPAC Name2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESOC1(C(F)(F)F)CC(c2cccnc2)=NN1c1ccc(Cl)nc1
InChIInChI=1S/C14H10ClF3N4O/c15-12-4-3-10(8-20-12)22-13(23,14(16,17)18)6-11(21-22)9-2-1-5-19-7-9/h1-5,7-8,23H,6H2
InChIKeyFBWNOLHOHZOLOG-UHFFFAOYSA-N
XLogP3.00
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 88975387) is 2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol is OC1(C(F)(F)F)CC(c2cccnc2)=NN1c1ccc(Cl)nc1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is FBWNOLHOHZOLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4O/c15-12-4-3-10(8-20-12)22-13(23,14(16,17)18)6-11(21-22)9-2-1-5-19-7-9/h1-5,7-8,23H,6H2.
What are the key properties of 2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 342.71 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 88975387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).