chloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol

C10H6Cl2F3N3O — CID 126762163

IUPACchloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESOC(Cl)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C10H6Cl2F3N3O/c11-5-2-1-3-16-9(5)18-6(8(12)19)4-7(17-18)10(13,14)15/h1-4,8,19H
InChIKeyDIKPHYRGQURREX-UHFFFAOYSA-N
MW312.08 g/mol
LogP3.17
Rot. Bonds2

About chloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol

chloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol (PubChem CID 126762163) has the molecular formula C10H6Cl2F3N3O and a molecular weight of 312.08 g/mol. Its IUPAC name is chloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Namechloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
PubChem CID126762163
Molecular FormulaC10H6Cl2F3N3O
Molecular Weight312.08 g/mol
Exact Mass310.98
IUPAC Namechloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESOC(Cl)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C10H6Cl2F3N3O/c11-5-2-1-3-16-9(5)18-6(8(12)19)4-7(17-18)10(13,14)15/h1-4,8,19H
InChIKeyDIKPHYRGQURREX-UHFFFAOYSA-N
XLogP3.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze chloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The IUPAC name of chloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol (CID 126762163) is chloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol.
What is the SMILES notation for chloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The canonical SMILES for chloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol is OC(Cl)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of chloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The InChIKey is DIKPHYRGQURREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F3N3O/c11-5-2-1-3-16-9(5)18-6(8(12)19)4-7(17-18)10(13,14)15/h1-4,8,19H.
What are the key properties of chloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
chloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol has a molecular weight of 312.08 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 126762163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).