5-fluoro-3-(2-nitroethenyl)-1H-indole

C10H7FN2O2 — CID 2774669

IUPAC5-fluoro-3-(2-nitroethenyl)-1H-indole
SMILESO=[N+]([O-])C=Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C10H7FN2O2/c11-8-1-2-10-9(5-8)7(6-12-10)3-4-13(14)15/h1-6,12H
InChIKeyRFGJWSVNMVSDEH-UHFFFAOYSA-N
MW206.18 g/mol
LogP2.55
Rot. Bonds2

About 5-fluoro-3-(2-nitroethenyl)-1H-indole

5-fluoro-3-(2-nitroethenyl)-1H-indole (PubChem CID 2774669) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 5-fluoro-3-(2-nitroethenyl)-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-(2-nitroethenyl)-1H-indole
PubChem CID2774669
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name5-fluoro-3-(2-nitroethenyl)-1H-indole
SMILESO=[N+]([O-])C=Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C10H7FN2O2/c11-8-1-2-10-9(5-8)7(6-12-10)3-4-13(14)15/h1-6,12H
InChIKeyRFGJWSVNMVSDEH-UHFFFAOYSA-N
XLogP2.55
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 52.55
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
5-benzyl-3-[(E)-2-nitroethenyl]-1H-indole
CID 15342556
3-[(E)-2-nitroethenyl]-5-(2-phenylethyl)-1H-indole
CID 22419952
2-[3-(2-nitroethenyl)-1H-indol-5-yl]-1H-benzimidazole
CID 67595950
5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole
CID 6442835
6-methylsulfonyl-3-[(E)-2-nitroethenyl]-1H-indole
CID 67441758
ethyl (E)-3-(5-fluoro-1H-indol-3-yl)prop-2-enoate
CID 171922360
4,7-difluoro-3-[(E)-2-nitroethenyl]-1H-indole
CID 21071471
6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole
CID 53391939
6-bromo-3-[(1E,3E)-4-nitrobuta-1,3-dienyl]-1H-indole
CID 15416729
4-[(E)-2-nitroethenyl]-1H-indole
CID 13100900
ethyl 3-(2-nitroethenyl)-1H-indole-6-carboxylate
CID 67443464

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2-nitroethenyl)-1H-indole?
The IUPAC name of 5-fluoro-3-(2-nitroethenyl)-1H-indole (CID 2774669) is 5-fluoro-3-(2-nitroethenyl)-1H-indole.
What is the SMILES notation for 5-fluoro-3-(2-nitroethenyl)-1H-indole?
The canonical SMILES for 5-fluoro-3-(2-nitroethenyl)-1H-indole is O=[N+]([O-])C=Cc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-(2-nitroethenyl)-1H-indole?
The InChIKey is RFGJWSVNMVSDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-8-1-2-10-9(5-8)7(6-12-10)3-4-13(14)15/h1-6,12H.
What are the key properties of 5-fluoro-3-(2-nitroethenyl)-1H-indole?
5-fluoro-3-(2-nitroethenyl)-1H-indole has a molecular weight of 206.18 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2-nitroethenyl)-1H-indole is sourced from PubChem (CID 2774669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).