3-amino-7,8-difluorophenazin-2-ol

C12H7F2N3O — CID 137081615

IUPAC3-amino-7,8-difluorophenazin-2-ol
SMILESNc1cc2nc3cc(F)c(F)cc3nc2cc1O
InChIInChI=1S/C12H7F2N3O/c13-5-1-8-9(2-6(5)14)17-11-4-12(18)7(15)3-10(11)16-8/h1-4,18H,15H2
InChIKeyUNCLWXAVWOMJOZ-UHFFFAOYSA-N
MW247.20 g/mol
LogP2.35
Rot. Bonds

About 3-amino-7,8-difluorophenazin-2-ol

3-amino-7,8-difluorophenazin-2-ol (PubChem CID 137081615) has the molecular formula C12H7F2N3O and a molecular weight of 247.20 g/mol. Its IUPAC name is 3-amino-7,8-difluorophenazin-2-ol.

Molecular Properties

Compound Name3-amino-7,8-difluorophenazin-2-ol
PubChem CID137081615
Molecular FormulaC12H7F2N3O
Molecular Weight247.20 g/mol
Exact Mass247.06
IUPAC Name3-amino-7,8-difluorophenazin-2-ol
SMILESNc1cc2nc3cc(F)c(F)cc3nc2cc1O
InChIInChI=1S/C12H7F2N3O/c13-5-1-8-9(2-6(5)14)17-11-4-12(18)7(15)3-10(11)16-8/h1-4,18H,15H2
InChIKeyUNCLWXAVWOMJOZ-UHFFFAOYSA-N
XLogP2.35
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-7,8-dihydrophenazin-2-ol
CID 142304830
2,5-diaminobenzene-1,4-diol;dihydrobromide
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CID 54924199
2-amino-7-fluoro-1,5-naphthyridin-3-ol
CID 146591870
5-amino-2-fluoro-4-hydroxybenzoic acid
CID 84653970
6-amino-1H-benzimidazol-5-ol
CID 82417589
phenazine-2,3,7-triamine
CID 13244876
2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde
CID 90219665
2-(difluoromethyl)-6,7-difluoroquinolin-4-amine
CID 62890537
2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide
CID 86775405
4-amino-6-(aminomethyl)benzene-1,3-diol
CID 154288362
2,3-dimethylquinoxaline-6,7-diamine
CID 11513893

Frequently Asked Questions

What is the IUPAC name of 3-amino-7,8-difluorophenazin-2-ol?
The IUPAC name of 3-amino-7,8-difluorophenazin-2-ol (CID 137081615) is 3-amino-7,8-difluorophenazin-2-ol.
What is the SMILES notation for 3-amino-7,8-difluorophenazin-2-ol?
The canonical SMILES for 3-amino-7,8-difluorophenazin-2-ol is Nc1cc2nc3cc(F)c(F)cc3nc2cc1O.
What is the InChIKey of 3-amino-7,8-difluorophenazin-2-ol?
The InChIKey is UNCLWXAVWOMJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O/c13-5-1-8-9(2-6(5)14)17-11-4-12(18)7(15)3-10(11)16-8/h1-4,18H,15H2.
What are the key properties of 3-amino-7,8-difluorophenazin-2-ol?
3-amino-7,8-difluorophenazin-2-ol has a molecular weight of 247.20 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7,8-difluorophenazin-2-ol is sourced from PubChem (CID 137081615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).