1-(4-fluoro-2-nitrophenyl)-6-nitroindazole

C13H7FN4O4 — CID 9029813

IUPAC1-(4-fluoro-2-nitrophenyl)-6-nitroindazole
SMILESO=[N+]([O-])c1ccc2cnn(-c3ccc(F)cc3[N+](=O)[O-])c2c1
InChIInChI=1S/C13H7FN4O4/c14-9-2-4-11(13(5-9)18(21)22)16-12-6-10(17(19)20)3-1-8(12)7-15-16/h1-7H
InChIKeyOJNBNSDXWQGPLE-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.98
Rot. Bonds3

About 1-(4-fluoro-2-nitrophenyl)-6-nitroindazole

1-(4-fluoro-2-nitrophenyl)-6-nitroindazole (PubChem CID 9029813) has the molecular formula C13H7FN4O4 and a molecular weight of 302.22 g/mol. Its IUPAC name is 1-(4-fluoro-2-nitrophenyl)-6-nitroindazole.

Molecular Properties

Compound Name1-(4-fluoro-2-nitrophenyl)-6-nitroindazole
PubChem CID9029813
Molecular FormulaC13H7FN4O4
Molecular Weight302.22 g/mol
Exact Mass302.05
IUPAC Name1-(4-fluoro-2-nitrophenyl)-6-nitroindazole
SMILESO=[N+]([O-])c1ccc2cnn(-c3ccc(F)cc3[N+](=O)[O-])c2c1
InChIInChI=1S/C13H7FN4O4/c14-9-2-4-11(13(5-9)18(21)22)16-12-6-10(17(19)20)3-1-8(12)7-15-16/h1-7H
InChIKeyOJNBNSDXWQGPLE-UHFFFAOYSA-N
XLogP2.98
TPSA104.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(4-indazol-1-yl-3-nitrophenyl)methanol
CID 62142480
1-(3-bromo-2-pyridinyl)-6-nitroindazole
CID 61374684
2-(2,4-dinitrophenyl)-7,8-dimethoxyphthalazin-1-one
CID 4749953
4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid
CID 43142906
1-(2,4-dinitrophenyl)-5-(4-fluorophenyl)-3-naphthalen-2-ylpyrazole
CID 154706591
2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid
CID 107554576
(1S)-1-(4-indazol-1-yl-3-nitrophenyl)ethanol
CID 78938569
1-(2,4-dinitrophenyl)-3,5-dinitropyrazole
CID 163214713
ethyl 1-(2,4-dinitrophenyl)-5-methylpyrazole-4-carboxylate
CID 25220454
1-(6-nitroindazol-1-yl)butan-2-ol
CID 60884485
1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole
CID 79752931
methane;methyl 6-nitroindazole-1-carboxylate
CID 174489049

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nitrophenyl)-6-nitroindazole?
The IUPAC name of 1-(4-fluoro-2-nitrophenyl)-6-nitroindazole (CID 9029813) is 1-(4-fluoro-2-nitrophenyl)-6-nitroindazole.
What is the SMILES notation for 1-(4-fluoro-2-nitrophenyl)-6-nitroindazole?
The canonical SMILES for 1-(4-fluoro-2-nitrophenyl)-6-nitroindazole is O=[N+]([O-])c1ccc2cnn(-c3ccc(F)cc3[N+](=O)[O-])c2c1.
What is the InChIKey of 1-(4-fluoro-2-nitrophenyl)-6-nitroindazole?
The InChIKey is OJNBNSDXWQGPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4O4/c14-9-2-4-11(13(5-9)18(21)22)16-12-6-10(17(19)20)3-1-8(12)7-15-16/h1-7H.
What are the key properties of 1-(4-fluoro-2-nitrophenyl)-6-nitroindazole?
1-(4-fluoro-2-nitrophenyl)-6-nitroindazole has a molecular weight of 302.22 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nitrophenyl)-6-nitroindazole is sourced from PubChem (CID 9029813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).