6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole

C10H8ClF3N2 — CID 118994156

IUPAC6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole
SMILESFC(F)(F)CCc1[nH]nc2cc(Cl)ccc12
InChIInChI=1S/C10H8ClF3N2/c11-6-1-2-7-8(3-4-10(12,13)14)15-16-9(7)5-6/h1-2,5H,3-4H2,(H,15,16)
InChIKeyAHVSUSNJEQIEDG-UHFFFAOYSA-N
MW248.63 g/mol
LogP3.71
Rot. Bonds2

About 6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole

6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole (PubChem CID 118994156) has the molecular formula C10H8ClF3N2 and a molecular weight of 248.63 g/mol. Its IUPAC name is 6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole.

Molecular Properties

Compound Name6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole
PubChem CID118994156
Molecular FormulaC10H8ClF3N2
Molecular Weight248.63 g/mol
Exact Mass248.03
IUPAC Name6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole
SMILESFC(F)(F)CCc1[nH]nc2cc(Cl)ccc12
InChIInChI=1S/C10H8ClF3N2/c11-6-1-2-7-8(3-4-10(12,13)14)15-16-9(7)5-6/h1-2,5H,3-4H2,(H,15,16)
InChIKeyAHVSUSNJEQIEDG-UHFFFAOYSA-N
XLogP3.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.63
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2H-indazol-3-yl)ethanamine
CID 55254326
2-(6-chloro-2H-indazol-3-yl)ethanone;yttrium
CID 166554155
2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine
CID 76846281
3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole
CID 166973737
6-chloro-3-propan-2-yl-2H-indazole
CID 118042502
2-(6-iodo-2H-indazol-3-yl)ethanamine
CID 76846285
3-(4,4-dimethylpentyl)-6-methyl-2H-indazole
CID 163560840
2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile
CID 76846222
4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol
CID 57305860
3-(6-fluoro-2H-indazol-3-yl)propanoic acid
CID 83909180
3-(bromomethyl)-6-fluoro-2H-indazole
CID 10823278
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole
CID 18663224

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole?
The IUPAC name of 6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole (CID 118994156) is 6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole.
What is the SMILES notation for 6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole?
The canonical SMILES for 6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole is FC(F)(F)CCc1[nH]nc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole?
The InChIKey is AHVSUSNJEQIEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N2/c11-6-1-2-7-8(3-4-10(12,13)14)15-16-9(7)5-6/h1-2,5H,3-4H2,(H,15,16).
What are the key properties of 6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole?
6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole has a molecular weight of 248.63 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole is sourced from PubChem (CID 118994156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).