5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole

C13H6BrClF3N3 — CID 86164506

IUPAC5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole
SMILESFC(F)(F)c1cnc(-n2ncc3cc(Br)ccc32)c(Cl)c1
InChIInChI=1S/C13H6BrClF3N3/c14-9-1-2-11-7(3-9)5-20-21(11)12-10(15)4-8(6-19-12)13(16,17)18/h1-6H
InChIKeyZJGKXFOLLVBWPK-UHFFFAOYSA-N
MW376.56 g/mol
LogP4.86
Rot. Bonds1

About 5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole

5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole (PubChem CID 86164506) has the molecular formula C13H6BrClF3N3 and a molecular weight of 376.56 g/mol. Its IUPAC name is 5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole.

Molecular Properties

Compound Name5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole
PubChem CID86164506
Molecular FormulaC13H6BrClF3N3
Molecular Weight376.56 g/mol
Exact Mass374.94
IUPAC Name5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole
SMILESFC(F)(F)c1cnc(-n2ncc3cc(Br)ccc32)c(Cl)c1
InChIInChI=1S/C13H6BrClF3N3/c14-9-1-2-11-7(3-9)5-20-21(11)12-10(15)4-8(6-19-12)13(16,17)18/h1-6H
InChIKeyZJGKXFOLLVBWPK-UHFFFAOYSA-N
XLogP4.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.56
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-6-(3-chloro-5-(trifluoromethyl)-2-pyridinyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1478921
3-Bromo-8-(trifluoromethyl)pyrimido[1,2-b]indazole
CID 162664781
1-(4-bromophenyl)-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 11392731
3-Bromo-10-chloro-pyrimido[1,2-b]indazole
CID 162643815
3-Bromo-10-fluoro-pyrimido[1,2-b]indazole
CID 162650798
3,9-Dibromopyrimido[1,2-B]indazole
CID 162651143
1-[2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole
CID 130205858
5-Bromo-2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene
CID 71593629
1-(2,5-Dichloropyrimidin-4-yl)-1h-indazole
CID 79631898
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitro-1H-indazole
CID 1473929
1-(3-Chloro-5-trifluoromethylpyridin-2-yl)-6-aminoindazole
CID 15278584
4-Azido-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indole
CID 15767453

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole?
The IUPAC name of 5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole (CID 86164506) is 5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole.
What is the SMILES notation for 5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole?
The canonical SMILES for 5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole is FC(F)(F)c1cnc(-n2ncc3cc(Br)ccc32)c(Cl)c1.
What is the InChIKey of 5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole?
The InChIKey is ZJGKXFOLLVBWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClF3N3/c14-9-1-2-11-7(3-9)5-20-21(11)12-10(15)4-8(6-19-12)13(16,17)18/h1-6H.
What are the key properties of 5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole?
5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole has a molecular weight of 376.56 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole is sourced from PubChem (CID 86164506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).