2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine

C11H9ClF3N3 — CID 102716254

IUPAC2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C)n(-c2cc(C(F)(F)F)cc(Cl)n2)n1
InChIInChI=1S/C11H9ClF3N3/c1-6-3-7(2)18(17-6)10-5-8(11(13,14)15)4-9(12)16-10/h3-5H,1-2H3
InChIKeyWDNYGOUGJIMDCA-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.56
Rot. Bonds1

About 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine

2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine (PubChem CID 102716254) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
PubChem CID102716254
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C)n(-c2cc(C(F)(F)F)cc(Cl)n2)n1
InChIInChI=1S/C11H9ClF3N3/c1-6-3-7(2)18(17-6)10-5-8(11(13,14)15)4-9(12)16-10/h3-5H,1-2H3
InChIKeyWDNYGOUGJIMDCA-UHFFFAOYSA-N
XLogP3.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine (CID 102716254) is 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine is Cc1cc(C)n(-c2cc(C(F)(F)F)cc(Cl)n2)n1.
What is the InChIKey of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is WDNYGOUGJIMDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c1-6-3-7(2)18(17-6)10-5-8(11(13,14)15)4-9(12)16-10/h3-5H,1-2H3.
What are the key properties of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 275.66 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102716254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).