2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole

C8H3FIN3O2S — CID 63383357

IUPAC2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole
SMILESO=[N+]([O-])c1ccc(F)cc1-c1nnc(I)s1
InChIInChI=1S/C8H3FIN3O2S/c9-4-1-2-6(13(14)15)5(3-4)7-11-12-8(10)16-7/h1-3H
InChIKeyJUMVDEGTCMOUPQ-UHFFFAOYSA-N
MW351.10 g/mol
LogP2.86
Rot. Bonds2

About 2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole

2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole (PubChem CID 63383357) has the molecular formula C8H3FIN3O2S and a molecular weight of 351.10 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole
PubChem CID63383357
Molecular FormulaC8H3FIN3O2S
Molecular Weight351.10 g/mol
Exact Mass350.90
IUPAC Name2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole
SMILESO=[N+]([O-])c1ccc(F)cc1-c1nnc(I)s1
InChIInChI=1S/C8H3FIN3O2S/c9-4-1-2-6(13(14)15)5(3-4)7-11-12-8(10)16-7/h1-3H
InChIKeyJUMVDEGTCMOUPQ-UHFFFAOYSA-N
XLogP2.86
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.10
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-iodo-5-(2-methyl-5-nitrophenyl)-1,3,4-thiadiazole
CID 63383926
1,2,3,4,5-pentachloro-6-(5-fluoro-2-nitrophenyl)benzene
CID 134630100
2-iodo-5-(4-methoxy-3-nitrophenyl)-1,3,4-thiadiazole
CID 63383509
2-(2-chloro-6-nitrophenyl)-5-iodo-1,3,4-thiadiazole
CID 63660058
5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 60875624
4-ethyl-3-(5-fluoro-2-nitrophenyl)-1,2,4-triazole
CID 115394724
1-(5-fluoro-2-nitrophenyl)naphthalene
CID 121246133
4-fluoro-1-(4-methylphenyl)-2-nitrobenzene
CID 67753587
[4-ethyl-5-(5-fluoro-2-nitrophenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593504
3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole
CID 112572090
3-(5-fluoro-2-nitrophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393589
3-(bromomethyl)-5-(5-fluoro-2-nitrophenyl)-4-propyl-1,2,4-triazole
CID 115399708

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole?
The IUPAC name of 2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole (CID 63383357) is 2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole?
The canonical SMILES for 2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole is O=[N+]([O-])c1ccc(F)cc1-c1nnc(I)s1.
What is the InChIKey of 2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole?
The InChIKey is JUMVDEGTCMOUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3FIN3O2S/c9-4-1-2-6(13(14)15)5(3-4)7-11-12-8(10)16-7/h1-3H.
What are the key properties of 2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole?
2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole has a molecular weight of 351.10 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole is sourced from PubChem (CID 63383357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).