(5-hydroxysulfanylisoquinolin-4-yl) hypofluorite

C9H6FNO2S — CID 143317594

IUPAC(5-hydroxysulfanylisoquinolin-4-yl) hypofluorite
SMILESOSc1cccc2cncc(OF)c12
InChIInChI=1S/C9H6FNO2S/c10-13-7-5-11-4-6-2-1-3-8(14-12)9(6)7/h1-5,12H
InChIKeyIEYJLRHKRPMCPU-UHFFFAOYSA-N
MW211.22 g/mol
LogP3.06
Rot. Bonds2

About (5-hydroxysulfanylisoquinolin-4-yl) hypofluorite

(5-hydroxysulfanylisoquinolin-4-yl) hypofluorite (PubChem CID 143317594) has the molecular formula C9H6FNO2S and a molecular weight of 211.22 g/mol. Its IUPAC name is (5-hydroxysulfanylisoquinolin-4-yl) hypofluorite.

Molecular Properties

Compound Name(5-hydroxysulfanylisoquinolin-4-yl) hypofluorite
PubChem CID143317594
Molecular FormulaC9H6FNO2S
Molecular Weight211.22 g/mol
Exact Mass211.01
IUPAC Name(5-hydroxysulfanylisoquinolin-4-yl) hypofluorite
SMILESOSc1cccc2cncc(OF)c12
InChIInChI=1S/C9H6FNO2S/c10-13-7-5-11-4-6-2-1-3-8(14-12)9(6)7/h1-5,12H
InChIKeyIEYJLRHKRPMCPU-UHFFFAOYSA-N
XLogP3.06
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze (5-hydroxysulfanylisoquinolin-4-yl) hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminobutanal;1,3-dimethyl-1,4-diazepane;(5-hydroxysulfanylisoquinolin-4-yl) hypofluorite
CID 143317608
4,5-dimethoxyisoquinoline
CID 119093682
[5-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-ylsulfanyl)isoquinolin-4-yl] hypochlorite
CID 126661249
[5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylsulfanyl)isoquinolin-4-yl] hypochlorite
CID 126661615
4,13-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2(20),3,5,7,9,11(19),12,14,16-decaene
CID 21082949
5-tert-butyl-4-methoxyisoquinoline
CID 126556212
4-(difluoromethyl)-5-iodoisoquinoline
CID 126661223
6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
CID 10465507
4-chloro-5-methoxyisoquinoline
CID 119083808
4-methylisoquinoline-5-thiol
CID 169302314
1-(4-aminoisoquinolin-5-yl)ethanol
CID 118547446
(5-chloroisoquinolin-4-yl)boronic acid
CID 156697434

Frequently Asked Questions

What is the IUPAC name of (5-hydroxysulfanylisoquinolin-4-yl) hypofluorite?
The IUPAC name of (5-hydroxysulfanylisoquinolin-4-yl) hypofluorite (CID 143317594) is (5-hydroxysulfanylisoquinolin-4-yl) hypofluorite.
What is the SMILES notation for (5-hydroxysulfanylisoquinolin-4-yl) hypofluorite?
The canonical SMILES for (5-hydroxysulfanylisoquinolin-4-yl) hypofluorite is OSc1cccc2cncc(OF)c12.
What is the InChIKey of (5-hydroxysulfanylisoquinolin-4-yl) hypofluorite?
The InChIKey is IEYJLRHKRPMCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2S/c10-13-7-5-11-4-6-2-1-3-8(14-12)9(6)7/h1-5,12H.
What are the key properties of (5-hydroxysulfanylisoquinolin-4-yl) hypofluorite?
(5-hydroxysulfanylisoquinolin-4-yl) hypofluorite has a molecular weight of 211.22 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxysulfanylisoquinolin-4-yl) hypofluorite is sourced from PubChem (CID 143317594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).