3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol

C17H10FNOS — CID 67326004

IUPAC3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol
SMILESFc1c(S)cccc1-c1cc2c(cn1)oc1ccccc12
InChIInChI=1S/C17H10FNOS/c18-17-11(5-3-7-16(17)21)13-8-12-10-4-1-2-6-14(10)20-15(12)9-19-13/h1-9,21H
InChIKeyJHLUHCUWMUZGCD-UHFFFAOYSA-N
MW295.34 g/mol
LogP5.08
Rot. Bonds1

About 3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol

3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol (PubChem CID 67326004) has the molecular formula C17H10FNOS and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol.

Molecular Properties

Compound Name3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol
PubChem CID67326004
Molecular FormulaC17H10FNOS
Molecular Weight295.34 g/mol
Exact Mass295.05
IUPAC Name3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol
SMILESFc1c(S)cccc1-c1cc2c(cn1)oc1ccccc12
InChIInChI=1S/C17H10FNOS/c18-17-11(5-3-7-16(17)21)13-8-12-10-4-1-2-6-14(10)20-15(12)9-19-13/h1-9,21H
InChIKeyJHLUHCUWMUZGCD-UHFFFAOYSA-N
XLogP5.08
TPSA26.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.34
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362
3-(3,5-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 140577687
3-cinnolin-3-yl-[1]benzofuro[2,3-c]pyridine
CID 168746605
3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline
CID 140881709
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168746066
3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine
CID 170531478
2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine
CID 166564112
2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine
CID 170047501
5-dibenzofuran-4-yl-2-(4-fluorophenyl)furo[2,3-c]pyridine
CID 155626390
5,15-di(dibenzofuran-4-yl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 164528112
12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 168745905
3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine
CID 168745917

Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol?
The IUPAC name of 3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol (CID 67326004) is 3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol.
What is the SMILES notation for 3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol?
The canonical SMILES for 3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol is Fc1c(S)cccc1-c1cc2c(cn1)oc1ccccc12.
What is the InChIKey of 3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol?
The InChIKey is JHLUHCUWMUZGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNOS/c18-17-11(5-3-7-16(17)21)13-8-12-10-4-1-2-6-14(10)20-15(12)9-19-13/h1-9,21H.
What are the key properties of 3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol?
3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol has a molecular weight of 295.34 g/mol, XLogP of 5.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1]benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol is sourced from PubChem (CID 67326004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).