2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol

C16H17FN2O3 — CID 173319923

IUPAC2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol
SMILESCC(C)(C)ON=C(c1ccc(F)cc1O)c1ncccc1O
InChIInChI=1S/C16H17FN2O3/c1-16(2,3)22-19-14(15-12(20)5-4-8-18-15)11-7-6-10(17)9-13(11)21/h4-9,20-21H,1-3H3
InChIKeyZYFURHCUBJGUKI-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.20
Rot. Bonds3

About 2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol

2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol (PubChem CID 173319923) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol
PubChem CID173319923
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol
SMILESCC(C)(C)ON=C(c1ccc(F)cc1O)c1ncccc1O
InChIInChI=1S/C16H17FN2O3/c1-16(2,3)22-19-14(15-12(20)5-4-8-18-15)11-7-6-10(17)9-13(11)21/h4-9,20-21H,1-3H3
InChIKeyZYFURHCUBJGUKI-UHFFFAOYSA-N
XLogP3.20
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol?
The IUPAC name of 2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol (CID 173319923) is 2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol.
What is the SMILES notation for 2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol?
The canonical SMILES for 2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol is CC(C)(C)ON=C(c1ccc(F)cc1O)c1ncccc1O.
What is the InChIKey of 2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol?
The InChIKey is ZYFURHCUBJGUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-16(2,3)22-19-14(15-12(20)5-4-8-18-15)11-7-6-10(17)9-13(11)21/h4-9,20-21H,1-3H3.
What are the key properties of 2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol?
2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol has a molecular weight of 304.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[C-(4-fluoro-2-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyridin-3-ol is sourced from PubChem (CID 173319923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).