(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite

C10H6FN3O3S — CID 155112470

IUPAC(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite
SMILESO=[N+]([O-])c1ccc2c(c1)OCc1nn(SF)cc1-2
InChIInChI=1S/C10H6FN3O3S/c11-18-13-4-8-7-2-1-6(14(15)16)3-10(7)17-5-9(8)12-13/h1-4H,5H2
InChIKeyRHRPFOMVANHOCY-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.73
Rot. Bonds2

About (7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite

(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite (PubChem CID 155112470) has the molecular formula C10H6FN3O3S and a molecular weight of 267.24 g/mol. Its IUPAC name is (7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite.

Molecular Properties

Compound Name(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite
PubChem CID155112470
Molecular FormulaC10H6FN3O3S
Molecular Weight267.24 g/mol
Exact Mass267.01
IUPAC Name(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite
SMILESO=[N+]([O-])c1ccc2c(c1)OCc1nn(SF)cc1-2
InChIInChI=1S/C10H6FN3O3S/c11-18-13-4-8-7-2-1-6(14(15)16)3-10(7)17-5-9(8)12-13/h1-4H,5H2
InChIKeyRHRPFOMVANHOCY-UHFFFAOYSA-N
XLogP2.73
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite
CID 155112374
3-[[2-(Fluoromethoxy)-6-nitrophenyl]methoxy]-1-sulfanylpyrazole
CID 155217838
4-(2-Methoxy-4-nitrophenyl)-6-methylpyridazine 1-oxide
CID 66857993
5-(2-Methoxy-4-nitrophenyl)-3-methylpyridazine
CID 91267097
4-(2-Methoxy-4-nitrophenyl)pyridazine
CID 117799590
7-Nitro-3,4-dihydrochromeno[4,3-d]pyrazole
CID 134578189
trimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane
CID 151601969
6-Nitro-2,4-dihydrochromeno[4,3-c]pyrazole
CID 171626555
8-Nitro-1,4-dihydrochromeno[3,4-d]pyrazole
CID 132606534

Frequently Asked Questions

What is the IUPAC name of (7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite?
The IUPAC name of (7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite (CID 155112470) is (7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite.
What is the SMILES notation for (7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite?
The canonical SMILES for (7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite is O=[N+]([O-])c1ccc2c(c1)OCc1nn(SF)cc1-2.
What is the InChIKey of (7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite?
The InChIKey is RHRPFOMVANHOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O3S/c11-18-13-4-8-7-2-1-6(14(15)16)3-10(7)17-5-9(8)12-13/h1-4H,5H2.
What are the key properties of (7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite?
(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite has a molecular weight of 267.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite is sourced from PubChem (CID 155112470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).