2-fluoro-5-(2H-tetrazol-5-yl)aniline

C7H6FN5 — CID 592152

IUPAC2-fluoro-5-(2H-tetrazol-5-yl)aniline
SMILESNc1cc(-c2nn[nH]n2)ccc1F
InChIInChI=1S/C7H6FN5/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13)
InChIKeySPFBMNKRQFPDGH-UHFFFAOYSA-N
MW179.16 g/mol
LogP0.59
Rot. Bonds1

About 2-fluoro-5-(2H-tetrazol-5-yl)aniline

2-fluoro-5-(2H-tetrazol-5-yl)aniline (PubChem CID 592152) has the molecular formula C7H6FN5 and a molecular weight of 179.16 g/mol. Its IUPAC name is 2-fluoro-5-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(2H-tetrazol-5-yl)aniline
PubChem CID592152
Molecular FormulaC7H6FN5
Molecular Weight179.16 g/mol
Exact Mass179.06
IUPAC Name2-fluoro-5-(2H-tetrazol-5-yl)aniline
SMILESNc1cc(-c2nn[nH]n2)ccc1F
InChIInChI=1S/C7H6FN5/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13)
InChIKeySPFBMNKRQFPDGH-UHFFFAOYSA-N
XLogP0.59
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2H-tetrazol-5-yl)aniline?
The IUPAC name of 2-fluoro-5-(2H-tetrazol-5-yl)aniline (CID 592152) is 2-fluoro-5-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for 2-fluoro-5-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for 2-fluoro-5-(2H-tetrazol-5-yl)aniline is Nc1cc(-c2nn[nH]n2)ccc1F.
What is the InChIKey of 2-fluoro-5-(2H-tetrazol-5-yl)aniline?
The InChIKey is SPFBMNKRQFPDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN5/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13).
What are the key properties of 2-fluoro-5-(2H-tetrazol-5-yl)aniline?
2-fluoro-5-(2H-tetrazol-5-yl)aniline has a molecular weight of 179.16 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 592152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).