4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol

C17H19Cl2FN2O3 — CID 10091706

IUPAC4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol
SMILESCC(CO)Nc1nc(F)c(Cl)c(Oc2ccc(O)c(C(C)C)c2)c1Cl
InChIInChI=1S/C17H19Cl2FN2O3/c1-8(2)11-6-10(4-5-12(11)24)25-15-13(18)16(20)22-17(14(15)19)21-9(3)7-23/h4-6,8-9,23-24H,7H2,1-3H3,(H,21,22)
InChIKeySRPXOOPLRQSWAR-UHFFFAOYSA-N
MW389.25 g/mol
LogP4.94
Rot. Bonds6

About 4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol

4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol (PubChem CID 10091706) has the molecular formula C17H19Cl2FN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol
PubChem CID10091706
Molecular FormulaC17H19Cl2FN2O3
Molecular Weight389.25 g/mol
Exact Mass388.08
IUPAC Name4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol
SMILESCC(CO)Nc1nc(F)c(Cl)c(Oc2ccc(O)c(C(C)C)c2)c1Cl
InChIInChI=1S/C17H19Cl2FN2O3/c1-8(2)11-6-10(4-5-12(11)24)25-15-13(18)16(20)22-17(14(15)19)21-9(3)7-23/h4-6,8-9,23-24H,7H2,1-3H3,(H,21,22)
InChIKeySRPXOOPLRQSWAR-UHFFFAOYSA-N
XLogP4.94
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol 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 4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol?
The IUPAC name of 4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol (CID 10091706) is 4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol.
What is the SMILES notation for 4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol?
The canonical SMILES for 4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol is CC(CO)Nc1nc(F)c(Cl)c(Oc2ccc(O)c(C(C)C)c2)c1Cl.
What is the InChIKey of 4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol?
The InChIKey is SRPXOOPLRQSWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2FN2O3/c1-8(2)11-6-10(4-5-12(11)24)25-15-13(18)16(20)22-17(14(15)19)21-9(3)7-23/h4-6,8-9,23-24H,7H2,1-3H3,(H,21,22).
What are the key properties of 4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol?
4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol has a molecular weight of 389.25 g/mol, XLogP of 4.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-dichloro-2-fluoro-6-(1-hydroxypropan-2-ylamino)-4-pyridinyl]oxy]-2-propan-2-ylphenol is sourced from PubChem (CID 10091706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).