(4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite

C8H6ClFN2S — CID 164573640

IUPAC(4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite
SMILESCc1cc(SCl)c2[nH]ncc2c1F
InChIInChI=1S/C8H6ClFN2S/c1-4-2-6(13-9)8-5(7(4)10)3-11-12-8/h2-3H,1H3,(H,11,12)
InChIKeyCNSNFOYVJPOGHL-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.26
Rot. Bonds1

About (4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite

(4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite (PubChem CID 164573640) has the molecular formula C8H6ClFN2S and a molecular weight of 216.67 g/mol. Its IUPAC name is (4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite.

Molecular Properties

Compound Name(4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite
PubChem CID164573640
Molecular FormulaC8H6ClFN2S
Molecular Weight216.67 g/mol
Exact Mass215.99
IUPAC Name(4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite
SMILESCc1cc(SCl)c2[nH]ncc2c1F
InChIInChI=1S/C8H6ClFN2S/c1-4-2-6(13-9)8-5(7(4)10)3-11-12-8/h2-3H,1H3,(H,11,12)
InChIKeyCNSNFOYVJPOGHL-UHFFFAOYSA-N
XLogP3.26
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-methoxy-7-methyl-1H-indazole
CID 167501479
ethane;7-fluoro-4-methyl-1H-indazole
CID 163257667
5-bromo-4-chloro-7-methyl-1H-indazole
CID 146307871
4-bromo-5,7-dimethyl-1H-indazole
CID 70630386
methyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate
CID 155161685
6-methyl-4,5-di(propan-2-yl)-1H-indazole
CID 171650760
1-(5-chloro-4-fluoro-1H-indazol-7-yl)-4,4-difluoro-2,2-dimethylpentan-1-one
CID 134373643
5-chloro-4-iodo-6-methyl-1H-indazole
CID 176951364
5-fluoro-4-methyl-1H-indazol-6-ol
CID 163233375
4-chloro-7-methoxy-1H-pyrazolo[4,5-c]pyridine
CID 86717818
ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol
CID 171106825
5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole
CID 175750890

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite?
The IUPAC name of (4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite (CID 164573640) is (4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite.
What is the SMILES notation for (4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite?
The canonical SMILES for (4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite is Cc1cc(SCl)c2[nH]ncc2c1F.
What is the InChIKey of (4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite?
The InChIKey is CNSNFOYVJPOGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN2S/c1-4-2-6(13-9)8-5(7(4)10)3-11-12-8/h2-3H,1H3,(H,11,12).
What are the key properties of (4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite?
(4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite has a molecular weight of 216.67 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite is sourced from PubChem (CID 164573640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).