3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine

C9H4BrClF3N3 — CID 114837465

IUPAC3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1ccn(-c2ncc(Cl)cc2Br)n1
InChIInChI=1S/C9H4BrClF3N3/c10-6-3-5(11)4-15-8(6)17-2-1-7(16-17)9(12,13)14/h1-4H
InChIKeyRKEUBAJZPOHIOO-UHFFFAOYSA-N
MW326.50 g/mol
LogP3.70
Rot. Bonds1

About 3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine

3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 114837465) has the molecular formula C9H4BrClF3N3 and a molecular weight of 326.50 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID114837465
Molecular FormulaC9H4BrClF3N3
Molecular Weight326.50 g/mol
Exact Mass324.92
IUPAC Name3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1ccn(-c2ncc(Cl)cc2Br)n1
InChIInChI=1S/C9H4BrClF3N3/c10-6-3-5(11)4-15-8(6)17-2-1-7(16-17)9(12,13)14/h1-4H
InChIKeyRKEUBAJZPOHIOO-UHFFFAOYSA-N
XLogP3.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 114837465) is 3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine is FC(F)(F)c1ccn(-c2ncc(Cl)cc2Br)n1.
What is the InChIKey of 3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is RKEUBAJZPOHIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClF3N3/c10-6-3-5(11)4-15-8(6)17-2-1-7(16-17)9(12,13)14/h1-4H.
What are the key properties of 3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 326.50 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 114837465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).