1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole

C13H8FN5O2 — CID 2731550

IUPAC1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole
SMILESO=[N+]([O-])c1cccc(-c2nnnn2-c2cccc(F)c2)c1
InChIInChI=1S/C13H8FN5O2/c14-10-4-2-5-11(8-10)18-13(15-16-17-18)9-3-1-6-12(7-9)19(20)21/h1-8H
InChIKeyCACZLKNGFOWIDQ-UHFFFAOYSA-N
MW285.24 g/mol
LogP2.38
Rot. Bonds3

About 1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole

1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole (PubChem CID 2731550) has the molecular formula C13H8FN5O2 and a molecular weight of 285.24 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole
PubChem CID2731550
Molecular FormulaC13H8FN5O2
Molecular Weight285.24 g/mol
Exact Mass285.07
IUPAC Name1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole
SMILESO=[N+]([O-])c1cccc(-c2nnnn2-c2cccc(F)c2)c1
InChIInChI=1S/C13H8FN5O2/c14-10-4-2-5-11(8-10)18-13(15-16-17-18)9-3-1-6-12(7-9)19(20)21/h1-8H
InChIKeyCACZLKNGFOWIDQ-UHFFFAOYSA-N
XLogP2.38
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 52.38
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

1H-Tetrazole, 1,5-diphenyl-
CID 139033
1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-
CID 821736
1-(4-methylphenyl)-5-phenyl-1H-tetrazole
CID 3638362
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
1-(4-nitrophenyl)-5-phenyl-1H-tetrazole
CID 4252743
1,5-bis(3-methylphenyl)-1H-1,2,3,4-tetraazole
CID 1474273
1-(2,4-Dinitrophenyl)-5-phenyltetrazole
CID 1712845
1,5-Bis(4-methylphenyl)-1,2,3,4-tetraazole
CID 767778
4-Amino-3,5-bis(3-nitrophenyl)-1,2,4-triazole
CID 85823402
5-[(3,5-Dinitrophenyl)methylselanyl]-1-phenyl-tetrazole
CID 90683072
1-Benzyl-5-(3,5-dinitrophenyl)tetrazole
CID 137659668
5-phenyl-1-[3-(trifluoromethyl)phenyl]-1H-tetraazole
CID 855912

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole?
The IUPAC name of 1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole (CID 2731550) is 1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole.
What is the SMILES notation for 1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole?
The canonical SMILES for 1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole is O=[N+]([O-])c1cccc(-c2nnnn2-c2cccc(F)c2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole?
The InChIKey is CACZLKNGFOWIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5O2/c14-10-4-2-5-11(8-10)18-13(15-16-17-18)9-3-1-6-12(7-9)19(20)21/h1-8H.
What are the key properties of 1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole?
1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole has a molecular weight of 285.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-(3-nitrophenyl)tetrazole is sourced from PubChem (CID 2731550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).