2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine

C10H6BrF4N3 — CID 162760807

IUPAC2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine
SMILESFc1ccc(-c2nn(CC(F)(F)F)cc2Br)nc1
InChIInChI=1S/C10H6BrF4N3/c11-7-4-18(5-10(13,14)15)17-9(7)8-2-1-6(12)3-16-8/h1-4H,5H2
InChIKeyYYOBZCZWUCJPJE-UHFFFAOYSA-N
MW324.08 g/mol
LogP3.41
Rot. Bonds2

About 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine

2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine (PubChem CID 162760807) has the molecular formula C10H6BrF4N3 and a molecular weight of 324.08 g/mol. Its IUPAC name is 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine
PubChem CID162760807
Molecular FormulaC10H6BrF4N3
Molecular Weight324.08 g/mol
Exact Mass322.97
IUPAC Name2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine
SMILESFc1ccc(-c2nn(CC(F)(F)F)cc2Br)nc1
InChIInChI=1S/C10H6BrF4N3/c11-7-4-18(5-10(13,14)15)17-9(7)8-2-1-6(12)3-16-8/h1-4H,5H2
InChIKeyYYOBZCZWUCJPJE-UHFFFAOYSA-N
XLogP3.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.08
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine
CID 175920701
3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine
CID 83222696
2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 83125234
7-bromo-2-(2,2,2-trifluoroethyl)indazole
CID 67476895
3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-amine
CID 83216674
6-bromo-2-(5-fluoro-2-pyridinyl)-3,7-dimethylimidazo[1,2-a]pyridine
CID 112586916
1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine
CID 83203644
5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine
CID 118201025
6-bromo-2-(5-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridine
CID 83129559
2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole
CID 112623637
2-(1-benzylimidazol-4-yl)-5-fluoropyridine
CID 139553844
2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine
CID 162760811

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine?
The IUPAC name of 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine (CID 162760807) is 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine.
What is the SMILES notation for 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine?
The canonical SMILES for 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine is Fc1ccc(-c2nn(CC(F)(F)F)cc2Br)nc1.
What is the InChIKey of 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine?
The InChIKey is YYOBZCZWUCJPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF4N3/c11-7-4-18(5-10(13,14)15)17-9(7)8-2-1-6(12)3-16-8/h1-4H,5H2.
What are the key properties of 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine?
2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine has a molecular weight of 324.08 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine is sourced from PubChem (CID 162760807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).