2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine

C9H5BrF3N3 — CID 29078485

IUPAC2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1c(Br)cnn1-c1ccccn1
InChIInChI=1S/C9H5BrF3N3/c10-6-5-15-16(8(6)9(11,12)13)7-3-1-2-4-14-7/h1-5H
InChIKeyHWFIGUPFRPUILG-UHFFFAOYSA-N
MW292.06 g/mol
LogP3.05
Rot. Bonds1

About 2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine

2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 29078485) has the molecular formula C9H5BrF3N3 and a molecular weight of 292.06 g/mol. Its IUPAC name is 2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID29078485
Molecular FormulaC9H5BrF3N3
Molecular Weight292.06 g/mol
Exact Mass290.96
IUPAC Name2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1c(Br)cnn1-c1ccccn1
InChIInChI=1S/C9H5BrF3N3/c10-6-5-15-16(8(6)9(11,12)13)7-3-1-2-4-14-7/h1-5H
InChIKeyHWFIGUPFRPUILG-UHFFFAOYSA-N
XLogP3.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.06
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 66436390
4-bromo-1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole
CID 43542859
N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31972467
2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one
CID 137413391
4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole
CID 43542709
N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39892892
(4-benzylpiperazin-1-yl)-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 21105184
5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 66439480
1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate
CID 22090459
2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine
CID 115053464
2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroacetic acid
CID 115053519
N-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine
CID 171104227

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 29078485) is 2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine is FC(F)(F)c1c(Br)cnn1-c1ccccn1.
What is the InChIKey of 2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is HWFIGUPFRPUILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF3N3/c10-6-5-15-16(8(6)9(11,12)13)7-3-1-2-4-14-7/h1-5H.
What are the key properties of 2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine?
2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 292.06 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 29078485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).