2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine

C10H7BrF3N3 — CID 134202433

IUPAC2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine
SMILESCn1cc(Br)c(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H7BrF3N3/c1-17-5-6(11)9(16-17)7-3-2-4-8(15-7)10(12,13)14/h2-5H,1H3
InChIKeyDRGYXRZAETVOHD-UHFFFAOYSA-N
MW306.09 g/mol
LogP3.26
Rot. Bonds1

About 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine

2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine (PubChem CID 134202433) has the molecular formula C10H7BrF3N3 and a molecular weight of 306.09 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine
PubChem CID134202433
Molecular FormulaC10H7BrF3N3
Molecular Weight306.09 g/mol
Exact Mass304.98
IUPAC Name2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine
SMILESCn1cc(Br)c(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H7BrF3N3/c1-17-5-6(11)9(16-17)7-3-2-4-8(15-7)10(12,13)14/h2-5H,1H3
InChIKeyDRGYXRZAETVOHD-UHFFFAOYSA-N
XLogP3.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.09
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine (CID 134202433) is 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine is Cn1cc(Br)c(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine?
The InChIKey is DRGYXRZAETVOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3/c1-17-5-6(11)9(16-17)7-3-2-4-8(15-7)10(12,13)14/h2-5H,1H3.
What are the key properties of 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine?
2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine has a molecular weight of 306.09 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 134202433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).