4-fluoro-3-iodo-7-nitro-1H-indole

C8H4FIN2O2 — CID 170949560

IUPAC4-fluoro-3-iodo-7-nitro-1H-indole
SMILESO=[N+]([O-])c1ccc(F)c2c(I)c[nH]c12
InChIInChI=1S/C8H4FIN2O2/c9-4-1-2-6(12(13)14)8-7(4)5(10)3-11-8/h1-3,11H
InChIKeyOWJSFWNOXJDFTN-UHFFFAOYSA-N
MW306.03 g/mol
LogP2.82
Rot. Bonds1

About 4-fluoro-3-iodo-7-nitro-1H-indole

4-fluoro-3-iodo-7-nitro-1H-indole (PubChem CID 170949560) has the molecular formula C8H4FIN2O2 and a molecular weight of 306.03 g/mol. Its IUPAC name is 4-fluoro-3-iodo-7-nitro-1H-indole.

Molecular Properties

Compound Name4-fluoro-3-iodo-7-nitro-1H-indole
PubChem CID170949560
Molecular FormulaC8H4FIN2O2
Molecular Weight306.03 g/mol
Exact Mass305.93
IUPAC Name4-fluoro-3-iodo-7-nitro-1H-indole
SMILESO=[N+]([O-])c1ccc(F)c2c(I)c[nH]c12
InChIInChI=1S/C8H4FIN2O2/c9-4-1-2-6(12(13)14)8-7(4)5(10)3-11-8/h1-3,11H
InChIKeyOWJSFWNOXJDFTN-UHFFFAOYSA-N
XLogP2.82
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.03
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-iodo-7-nitro-1H-indole-4-carbonitrile
CID 170949476
3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine
CID 24729572
2-amino-3-(7-fluoro-4-nitro-1H-indol-3-yl)propanoic acid
CID 122473693
1-fluoro-4-iodo-2-nitrobenzene
CID 14590582
3-iodo-4-nitro-1H-pyrrolo[2,3-c]pyridine
CID 53412698
5-fluoro-8-nitro-2H-isoquinolin-1-one
CID 82572142
4,7-difluoro-3-[(E)-2-nitroethenyl]-1H-indole
CID 21071471
6-fluoro-2-iodo-3-nitrobenzoic acid
CID 131545530
4-methoxy-7-nitro-1H-indole-3-carbonitrile
CID 170949782
(2S)-2-amino-3-(4-amino-7-nitro-1H-indol-3-yl)propanoic acid
CID 122473852
4-fluoro-7-nitro-2H-benzotriazole
CID 123254608
3-bromo-1,2-difluoro-4-nitrobenzene
CID 574589

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-iodo-7-nitro-1H-indole?
The IUPAC name of 4-fluoro-3-iodo-7-nitro-1H-indole (CID 170949560) is 4-fluoro-3-iodo-7-nitro-1H-indole.
What is the SMILES notation for 4-fluoro-3-iodo-7-nitro-1H-indole?
The canonical SMILES for 4-fluoro-3-iodo-7-nitro-1H-indole is O=[N+]([O-])c1ccc(F)c2c(I)c[nH]c12.
What is the InChIKey of 4-fluoro-3-iodo-7-nitro-1H-indole?
The InChIKey is OWJSFWNOXJDFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FIN2O2/c9-4-1-2-6(12(13)14)8-7(4)5(10)3-11-8/h1-3,11H.
What are the key properties of 4-fluoro-3-iodo-7-nitro-1H-indole?
4-fluoro-3-iodo-7-nitro-1H-indole has a molecular weight of 306.03 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-iodo-7-nitro-1H-indole is sourced from PubChem (CID 170949560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).