6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol

C12H11FN2O4S — CID 58237043

IUPAC6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol
SMILESCS(=O)(=O)c1ccc(Oc2ccc(N)c(O)c2F)cn1
InChIInChI=1S/C12H11FN2O4S/c1-20(17,18)10-5-2-7(6-15-10)19-9-4-3-8(14)12(16)11(9)13/h2-6,16H,14H2,1H3
InChIKeyPPEXLOYSTGCNDV-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.70
Rot. Bonds3

About 6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol

6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol (PubChem CID 58237043) has the molecular formula C12H11FN2O4S and a molecular weight of 298.30 g/mol. Its IUPAC name is 6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol.

Molecular Properties

Compound Name6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol
PubChem CID58237043
Molecular FormulaC12H11FN2O4S
Molecular Weight298.30 g/mol
Exact Mass298.04
IUPAC Name6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol
SMILESCS(=O)(=O)c1ccc(Oc2ccc(N)c(O)c2F)cn1
InChIInChI=1S/C12H11FN2O4S/c1-20(17,18)10-5-2-7(6-15-10)19-9-4-3-8(14)12(16)11(9)13/h2-6,16H,14H2,1H3
InChIKeyPPEXLOYSTGCNDV-UHFFFAOYSA-N
XLogP1.70
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol?
The IUPAC name of 6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol (CID 58237043) is 6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol.
What is the SMILES notation for 6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol?
The canonical SMILES for 6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol is CS(=O)(=O)c1ccc(Oc2ccc(N)c(O)c2F)cn1.
What is the InChIKey of 6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol?
The InChIKey is PPEXLOYSTGCNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S/c1-20(17,18)10-5-2-7(6-15-10)19-9-4-3-8(14)12(16)11(9)13/h2-6,16H,14H2,1H3.
What are the key properties of 6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol?
6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol has a molecular weight of 298.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol is sourced from PubChem (CID 58237043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).