2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole

C16H10FN3O2 — CID 173442632

IUPAC2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole
SMILESC1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C3=CC4=C(N3)C=CC(=C4)F
InChIInChI=1S/C16H10FN3O2/c17-11-4-5-12-10(6-11)8-13(18-12)14-7-9-2-1-3-15(20(21)22)16(9)19-14/h1-8,18-19H
InChIKeyHODNVTNHCZHJDO-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.80
Rot. Bonds1

About 2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole

2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole (PubChem CID 173442632) has the molecular formula C16H10FN3O2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole
PubChem CID173442632
Molecular FormulaC16H10FN3O2
Molecular Weight295.27 g/mol
Exact Mass295.08
IUPAC Name2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole
SMILESC1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C3=CC4=C(N3)C=CC(=C4)F
InChIInChI=1S/C16H10FN3O2/c17-11-4-5-12-10(6-11)8-13(18-12)14-7-9-2-1-3-15(20(21)22)16(9)19-14/h1-8,18-19H
InChIKeyHODNVTNHCZHJDO-UHFFFAOYSA-N
XLogP3.80
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity444

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2,3-Dimethyl-7-nitro-1H-indole
CID 38742
9H-Carbazole, 1,3,6,8-tetranitro-
CID 72755
2-Methyl-5-nitro-1H-indole
CID 280313
3-Nitrocarbazole
CID 76503
6-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 258747
Ethyl-methyl-{2-[2-(3-nitro-phenyl)-1H-indol-3-yl]-ethyl}-amine
CID 44324041
Carbazole, 1,2,3,4-tetrahydro-1-benzylamino-6-nitro-
CID 563391
1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
CID 2831040
2-(3-nitrophenyl)-1H-indole
CID 5115307
9H-Pyrido(3,4-b)indole, 1-methyl-8-nitro-
CID 15541344
2,3-dimethyl-5-nitro-1H-indole
CID 88860
5-Nitro-2-phenyl-1H-indole
CID 280309

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole?
The IUPAC name of 2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole (CID 173442632) is 2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole.
What is the SMILES notation for 2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole?
The canonical SMILES for 2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole is C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C3=CC4=C(N3)C=CC(=C4)F.
What is the InChIKey of 2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole?
The InChIKey is HODNVTNHCZHJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2/c17-11-4-5-12-10(6-11)8-13(18-12)14-7-9-2-1-3-15(20(21)22)16(9)19-14/h1-8,18-19H.
What are the key properties of 2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole?
2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole has a molecular weight of 295.27 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole is sourced from PubChem (CID 173442632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).