6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole

C13H9FN2O3 — CID 116619759

IUPAC6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole
SMILESO=[N+]([O-])c1ccc(Cn2ccc3ccc(F)cc32)o1
InChIInChI=1S/C13H9FN2O3/c14-10-2-1-9-5-6-15(12(9)7-10)8-11-3-4-13(19-11)16(17)18/h1-7H,8H2
InChIKeyIWLVZHLURDBLFL-UHFFFAOYSA-N
MW260.22 g/mol
LogP3.33
Rot. Bonds3

About 6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole

6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole (PubChem CID 116619759) has the molecular formula C13H9FN2O3 and a molecular weight of 260.22 g/mol. Its IUPAC name is 6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole.

Molecular Properties

Compound Name6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole
PubChem CID116619759
Molecular FormulaC13H9FN2O3
Molecular Weight260.22 g/mol
Exact Mass260.06
IUPAC Name6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole
SMILESO=[N+]([O-])c1ccc(Cn2ccc3ccc(F)cc32)o1
InChIInChI=1S/C13H9FN2O3/c14-10-2-1-9-5-6-15(12(9)7-10)8-11-3-4-13(19-11)16(17)18/h1-7H,8H2
InChIKeyIWLVZHLURDBLFL-UHFFFAOYSA-N
XLogP3.33
TPSA61.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole
CID 116546889
4-methyl-1-[(5-nitrofuran-2-yl)methyl]pyridin-2-one
CID 116622628
4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline
CID 43443827
1-[(5-fluoro-2-nitrophenyl)methyl]-6-methylindole
CID 116546647
1-ethyl-3-[(5-nitrofuran-2-yl)methyl]imidazol-2-one
CID 116624377
5-[(6-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63578845
2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43763852
2-(6-fluoroindol-1-yl)acetaldehyde
CID 62025779
6-fluoro-1-(pyridin-4-ylmethyl)indole
CID 116619843
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864
5,6-dimethyl-1-[(5-nitrofuran-2-yl)methyl]benzimidazole
CID 115582512
cobalt;1-ethyl-6-fluoroindole
CID 58657570

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole?
The IUPAC name of 6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole (CID 116619759) is 6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole.
What is the SMILES notation for 6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole?
The canonical SMILES for 6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole is O=[N+]([O-])c1ccc(Cn2ccc3ccc(F)cc32)o1.
What is the InChIKey of 6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole?
The InChIKey is IWLVZHLURDBLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O3/c14-10-2-1-9-5-6-15(12(9)7-10)8-11-3-4-13(19-11)16(17)18/h1-7H,8H2.
What are the key properties of 6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole?
6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole has a molecular weight of 260.22 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole is sourced from PubChem (CID 116619759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).