7-fluoro-2H-benzotriazol-4-ol

C6H4FN3O — CID 137007003

IUPAC7-fluoro-2H-benzotriazol-4-ol
SMILESOc1ccc(F)c2n[nH]nc12
InChIInChI=1S/C6H4FN3O/c7-3-1-2-4(11)6-5(3)8-10-9-6/h1-2,11H,(H,8,9,10)
InChIKeyGZBOSHJOYLTXKP-UHFFFAOYSA-N
MW153.12 g/mol
LogP0.80
Rot. Bonds

About 7-fluoro-2H-benzotriazol-4-ol

7-fluoro-2H-benzotriazol-4-ol (PubChem CID 137007003) has the molecular formula C6H4FN3O and a molecular weight of 153.12 g/mol. Its IUPAC name is 7-fluoro-2H-benzotriazol-4-ol.

Molecular Properties

Compound Name7-fluoro-2H-benzotriazol-4-ol
PubChem CID137007003
Molecular FormulaC6H4FN3O
Molecular Weight153.12 g/mol
Exact Mass153.03
IUPAC Name7-fluoro-2H-benzotriazol-4-ol
SMILESOc1ccc(F)c2n[nH]nc12
InChIInChI=1S/C6H4FN3O/c7-3-1-2-4(11)6-5(3)8-10-9-6/h1-2,11H,(H,8,9,10)
InChIKeyGZBOSHJOYLTXKP-UHFFFAOYSA-N
XLogP0.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2H-benzotriazol-4-ol?
The IUPAC name of 7-fluoro-2H-benzotriazol-4-ol (CID 137007003) is 7-fluoro-2H-benzotriazol-4-ol.
What is the SMILES notation for 7-fluoro-2H-benzotriazol-4-ol?
The canonical SMILES for 7-fluoro-2H-benzotriazol-4-ol is Oc1ccc(F)c2n[nH]nc12.
What is the InChIKey of 7-fluoro-2H-benzotriazol-4-ol?
The InChIKey is GZBOSHJOYLTXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN3O/c7-3-1-2-4(11)6-5(3)8-10-9-6/h1-2,11H,(H,8,9,10).
What are the key properties of 7-fluoro-2H-benzotriazol-4-ol?
7-fluoro-2H-benzotriazol-4-ol has a molecular weight of 153.12 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2H-benzotriazol-4-ol is sourced from PubChem (CID 137007003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).