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

C18H19Cl2FN2O2 — CID 10249469

IUPAC4-[[3,5-dichloro-2-(cyclopropylmethylamino)-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol
SMILESCC(C)c1cc(Oc2c(Cl)c(F)nc(NCC3CC3)c2Cl)ccc1O
InChIInChI=1S/C18H19Cl2FN2O2/c1-9(2)12-7-11(5-6-13(12)24)25-16-14(19)17(21)23-18(15(16)20)22-8-10-3-4-10/h5-7,9-10,24H,3-4,8H2,1-2H3,(H,22,23)
InChIKeyFAXYZVJVZSUTKF-UHFFFAOYSA-N
MW385.27 g/mol
LogP5.97
Rot. Bonds6

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

4-[[3,5-dichloro-2-(cyclopropylmethylamino)-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol (PubChem CID 10249469) has the molecular formula C18H19Cl2FN2O2 and a molecular weight of 385.27 g/mol. Its IUPAC name is 4-[[3,5-dichloro-2-(cyclopropylmethylamino)-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-[[3,5-dichloro-2-(cyclopropylmethylamino)-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol
PubChem CID10249469
Molecular FormulaC18H19Cl2FN2O2
Molecular Weight385.27 g/mol
Exact Mass384.08
IUPAC Name4-[[3,5-dichloro-2-(cyclopropylmethylamino)-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol
SMILESCC(C)c1cc(Oc2c(Cl)c(F)nc(NCC3CC3)c2Cl)ccc1O
InChIInChI=1S/C18H19Cl2FN2O2/c1-9(2)12-7-11(5-6-13(12)24)25-16-14(19)17(21)23-18(15(16)20)22-8-10-3-4-10/h5-7,9-10,24H,3-4,8H2,1-2H3,(H,22,23)
InChIKeyFAXYZVJVZSUTKF-UHFFFAOYSA-N
XLogP5.97
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.27
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-dichloro-2-(cyclopropylmethylamino)-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol?
The IUPAC name of 4-[[3,5-dichloro-2-(cyclopropylmethylamino)-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol (CID 10249469) is 4-[[3,5-dichloro-2-(cyclopropylmethylamino)-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol.
What is the SMILES notation for 4-[[3,5-dichloro-2-(cyclopropylmethylamino)-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol?
The canonical SMILES for 4-[[3,5-dichloro-2-(cyclopropylmethylamino)-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol is CC(C)c1cc(Oc2c(Cl)c(F)nc(NCC3CC3)c2Cl)ccc1O.
What is the InChIKey of 4-[[3,5-dichloro-2-(cyclopropylmethylamino)-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol?
The InChIKey is FAXYZVJVZSUTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN2O2/c1-9(2)12-7-11(5-6-13(12)24)25-16-14(19)17(21)23-18(15(16)20)22-8-10-3-4-10/h5-7,9-10,24H,3-4,8H2,1-2H3,(H,22,23).
What are the key properties of 4-[[3,5-dichloro-2-(cyclopropylmethylamino)-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol?
4-[[3,5-dichloro-2-(cyclopropylmethylamino)-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol has a molecular weight of 385.27 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-dichloro-2-(cyclopropylmethylamino)-6-fluoro-4-pyridinyl]oxy]-2-propan-2-ylphenol is sourced from PubChem (CID 10249469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).