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'}

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Related Compounds

3,5-Dichloro-2-fluoro-4-(3-isopropyl-4-methoxyphenoxy)-6-methoxycarbonylmethylamino-pyridine
CID 9888184
4-[(2-Amino-3,5-dichloro-6-fluoro-4-pyridinyl)oxy]-2-propan-2-ylphenol
CID 9973946
3-[[3,5-Dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]-3-oxopropanoic acid
CID 9979341
4-[[2-(2-Aminoethylamino)-3,5-dichloro-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol
CID 9999451
2-[[3,5-Dichloro-6-fluoro-4-(4-hydroxy-3-phenylphenoxy)-2-pyridinyl]-methylamino]acetic acid
CID 10026070
1-[2-[[3,5-Dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one
CID 10026399
4-[[3,5-Dichloro-2-fluoro-6-[(2-hydroxy-2-phenylethyl)amino]-4-pyridinyl]oxy]-2-propan-2-ylphenol
CID 10026810
1-[3-[[3,5-Dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 10027063
N-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]acetamide
CID 10093328
4-[[3,5-Dichloro-2-(cyclopropylmethylamino)-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol
CID 10249469
4-[[3,5-Dichloro-2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]-4-pyridinyl]oxy]-2-propan-2-ylphenol
CID 10342002
3-[[3,5-Dichloro-6-fluoro-4-(4-hydroxy-3-phenylphenoxy)-2-pyridinyl]amino]propanoic acid
CID 10365779

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).