[3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite

C14H9Cl2FN2S — CID 143227902

IUPAC[3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite
SMILESFc1ccc(Cn2nc(Cl)c3cc(SCl)ccc32)cc1
InChIInChI=1S/C14H9Cl2FN2S/c15-14-12-7-11(20-16)5-6-13(12)19(18-14)8-9-1-3-10(17)4-2-9/h1-7H,8H2
InChIKeyFTTVOCGKYIRPNU-UHFFFAOYSA-N
MW327.21 g/mol
LogP5.12
Rot. Bonds3

About [3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite

[3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite (PubChem CID 143227902) has the molecular formula C14H9Cl2FN2S and a molecular weight of 327.21 g/mol. Its IUPAC name is [3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite.

Molecular Properties

Compound Name[3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite
PubChem CID143227902
Molecular FormulaC14H9Cl2FN2S
Molecular Weight327.21 g/mol
Exact Mass325.98
IUPAC Name[3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite
SMILESFc1ccc(Cn2nc(Cl)c3cc(SCl)ccc32)cc1
InChIInChI=1S/C14H9Cl2FN2S/c15-14-12-7-11(20-16)5-6-13(12)19(18-14)8-9-1-3-10(17)4-2-9/h1-7H,8H2
InChIKeyFTTVOCGKYIRPNU-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.21
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-fluoro-1-(2-methylpropyl)indazole
CID 105484197
2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile
CID 83534213
ethyl 2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxyacetate
CID 110188874
1-[(4-cyanophenyl)methyl]-5-fluoroindazole-3-carboxylic acid
CID 66857727
1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole
CID 59281596
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-chloro-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 70969110
5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole
CID 113390724
4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
CID 55172408
2-[1-[(4-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N-pyridin-4-ylacetamide
CID 67697925
4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole
CID 118192404
5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol
CID 117232697
5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-(4-methylsulfanylphenyl)pyridazin-3-one
CID 18369387

Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite?
The IUPAC name of [3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite (CID 143227902) is [3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite.
What is the SMILES notation for [3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite?
The canonical SMILES for [3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite is Fc1ccc(Cn2nc(Cl)c3cc(SCl)ccc32)cc1.
What is the InChIKey of [3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite?
The InChIKey is FTTVOCGKYIRPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2S/c15-14-12-7-11(20-16)5-6-13(12)19(18-14)8-9-1-3-10(17)4-2-9/h1-7H,8H2.
What are the key properties of [3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite?
[3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite has a molecular weight of 327.21 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-1-[(4-fluorophenyl)methyl]indazol-5-yl] thiohypochlorite is sourced from PubChem (CID 143227902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).