6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole

C10H7FN2O2 — CID 124637317

IUPAC6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole
SMILESO=[N+]([O-])/C=C\c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C10H7FN2O2/c11-8-1-2-9-7(3-4-13(14)15)6-12-10(9)5-8/h1-6,12H/b4-3-
InChIKeySTYSDPNMNYBCOU-ARJAWSKDSA-N
MW206.18 g/mol
LogP2.55
Rot. Bonds2

About 6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole

6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole (PubChem CID 124637317) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole
PubChem CID124637317
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole
SMILESO=[N+]([O-])/C=C\c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C10H7FN2O2/c11-8-1-2-9-7(3-4-13(14)15)6-12-10(9)5-8/h1-6,12H/b4-3-
InChIKeySTYSDPNMNYBCOU-ARJAWSKDSA-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

5-fluoro-3-(2-nitroethenyl)-1H-indole
CID 2774669
6-methylsulfonyl-3-[(E)-2-nitroethenyl]-1H-indole
CID 67441758
6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole
CID 53391939
3-(6-fluoro-1H-indol-3-yl)prop-2-enamide
CID 169482966
6-bromo-3-[(1E,3E)-4-nitrobuta-1,3-dienyl]-1H-indole
CID 15416729
ethyl 3-(2-nitroethenyl)-1H-indole-6-carboxylate
CID 67443464
3-(2-nitroethenyl)-6-phenylmethoxy-1H-indole
CID 67443454
5-benzyl-3-[(E)-2-nitroethenyl]-1H-indole
CID 15342556
3-[(E)-2-nitroethenyl]-5-(2-phenylethyl)-1H-indole
CID 22419952
4,7-difluoro-3-[(E)-2-nitroethenyl]-1H-indole
CID 21071471
6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole
CID 144902248
2-[3-(2-nitroethenyl)-1H-indol-5-yl]-1H-benzimidazole
CID 67595950

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole?
The IUPAC name of 6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole (CID 124637317) is 6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole is O=[N+]([O-])/C=C\c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole?
The InChIKey is STYSDPNMNYBCOU-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-8-1-2-9-7(3-4-13(14)15)6-12-10(9)5-8/h1-6,12H/b4-3-.
What are the key properties of 6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole?
6-fluoro-3-[(Z)-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 6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole is sourced from PubChem (CID 124637317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).