6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole

C16H11FN2O2 — CID 53391939

IUPAC6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole
SMILESO=[N+]([O-])c1cccc(/C=C/c2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C16H11FN2O2/c17-13-6-7-15-12(10-18-16(15)9-13)5-4-11-2-1-3-14(8-11)19(20)21/h1-10,18H/b5-4+
InChIKeyUAKGRSXHHBIFQY-SNAWJCMRSA-N
MW282.27 g/mol
LogP4.39
Rot. Bonds3

About 6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole

6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole (PubChem CID 53391939) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole
PubChem CID53391939
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole
SMILESO=[N+]([O-])c1cccc(/C=C/c2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C16H11FN2O2/c17-13-6-7-15-12(10-18-16(15)9-13)5-4-11-2-1-3-14(8-11)19(20)21/h1-10,18H/b5-4+
InChIKeyUAKGRSXHHBIFQY-SNAWJCMRSA-N
XLogP4.39
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole
CID 124637317
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole
CID 53391624
(E)-1-(6-chloro-1H-indol-3-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 60583182
3-(6-fluoro-1H-indol-3-yl)prop-2-enamide
CID 169482966
5-fluoro-3-(2-nitroethenyl)-1H-indole
CID 2774669
1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene
CID 100934830
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
5-fluoro-2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazole
CID 54311018
(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2165621
1-chloro-4-(6-nitro-1H-indol-3-yl)but-3-en-2-one
CID 77040039
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole?
The IUPAC name of 6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole (CID 53391939) is 6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole is O=[N+]([O-])c1cccc(/C=C/c2c[nH]c3cc(F)ccc23)c1.
What is the InChIKey of 6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole?
The InChIKey is UAKGRSXHHBIFQY-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-13-6-7-15-12(10-18-16(15)9-13)5-4-11-2-1-3-14(8-11)19(20)21/h1-10,18H/b5-4+.
What are the key properties of 6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole?
6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole has a molecular weight of 282.27 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole is sourced from PubChem (CID 53391939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).