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

C11H9BrF3N3 — CID 66328894

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
SMILESCc1nn(-c2cc(C(F)(F)F)ccn2)c(C)c1Br
InChIInChI=1S/C11H9BrF3N3/c1-6-10(12)7(2)18(17-6)9-5-8(3-4-16-9)11(13,14)15/h3-5H,1-2H3
InChIKeyFYRORHDKMPBTRQ-UHFFFAOYSA-N
MW320.11 g/mol
LogP3.67
Rot. Bonds1

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

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine (PubChem CID 66328894) has the molecular formula C11H9BrF3N3 and a molecular weight of 320.11 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
PubChem CID66328894
Molecular FormulaC11H9BrF3N3
Molecular Weight320.11 g/mol
Exact Mass318.99
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
SMILESCc1nn(-c2cc(C(F)(F)F)ccn2)c(C)c1Br
InChIInChI=1S/C11H9BrF3N3/c1-6-10(12)7(2)18(17-6)9-5-8(3-4-16-9)11(13,14)15/h3-5H,1-2H3
InChIKeyFYRORHDKMPBTRQ-UHFFFAOYSA-N
XLogP3.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine (CID 66328894) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine is Cc1nn(-c2cc(C(F)(F)F)ccn2)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is FYRORHDKMPBTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3/c1-6-10(12)7(2)18(17-6)9-5-8(3-4-16-9)11(13,14)15/h3-5H,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 320.11 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 66328894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).