5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole

C13H8F3N3O2S — CID 141137161

IUPAC5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole
SMILESO=S(=O)(c1ncccc1-c1ccc2[nH]ncc2c1)C(F)(F)F
InChIInChI=1S/C13H8F3N3O2S/c14-13(15,16)22(20,21)12-10(2-1-5-17-12)8-3-4-11-9(6-8)7-18-19-11/h1-7H,(H,18,19)
InChIKeyKFGVFARXJRFURU-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.92
Rot. Bonds2

About 5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole

5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole (PubChem CID 141137161) has the molecular formula C13H8F3N3O2S and a molecular weight of 327.29 g/mol. Its IUPAC name is 5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole
PubChem CID141137161
Molecular FormulaC13H8F3N3O2S
Molecular Weight327.29 g/mol
Exact Mass327.03
IUPAC Name5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole
SMILESO=S(=O)(c1ncccc1-c1ccc2[nH]ncc2c1)C(F)(F)F
InChIInChI=1S/C13H8F3N3O2S/c14-13(15,16)22(20,21)12-10(2-1-5-17-12)8-3-4-11-9(6-8)7-18-19-11/h1-7H,(H,18,19)
InChIKeyKFGVFARXJRFURU-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(1H-indazol-5-yl)-2-pyridinyl]phenol
CID 90095596
5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-1H-indazole
CID 122478455
5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole
CID 90095806
[2-(1H-indazol-5-yl)phenyl]methanol
CID 56711805
5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole
CID 90095205
4-(1H-indazol-5-yl)quinoline
CID 139407455
5-(2-methyl-4-pyridinyl)-1H-indazole
CID 143158050
5-(2-tert-butyl-4-pyridinyl)-1H-indazole
CID 58588587
3-(1H-indazol-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266110
N-[5-(2,3-difluorophenyl)-2-pyridinyl]-1H-indazol-5-amine
CID 162631226
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole
CID 138396393
5-(6-chloro-3-pyridinyl)-1H-indazole
CID 57355194

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole?
The IUPAC name of 5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole (CID 141137161) is 5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole?
The canonical SMILES for 5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole is O=S(=O)(c1ncccc1-c1ccc2[nH]ncc2c1)C(F)(F)F.
What is the InChIKey of 5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole?
The InChIKey is KFGVFARXJRFURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O2S/c14-13(15,16)22(20,21)12-10(2-1-5-17-12)8-3-4-11-9(6-8)7-18-19-11/h1-7H,(H,18,19).
What are the key properties of 5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole?
5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole has a molecular weight of 327.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 141137161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).