2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol

C19H16ClFN2O2 — CID 143190350

IUPAC2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol
SMILESCC(Oc1cc(-c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1O
InChIInChI=1S/C19H16ClFN2O2/c1-11(17-14(20)7-8-15(21)18(17)24)25-16-9-13(10-23-19(16)22)12-5-3-2-4-6-12/h2-11,24H,1H3,(H2,22,23)
InChIKeyMBWFOZVFXGFBKV-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.97
Rot. Bonds4

About 2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol

2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol (PubChem CID 143190350) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is 2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol.

Molecular Properties

Compound Name2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol
PubChem CID143190350
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol
SMILESCC(Oc1cc(-c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1O
InChIInChI=1S/C19H16ClFN2O2/c1-11(17-14(20)7-8-15(21)18(17)24)25-16-9-13(10-23-19(16)22)12-5-3-2-4-6-12/h2-11,24H,1H3,(H2,22,23)
InChIKeyMBWFOZVFXGFBKV-UHFFFAOYSA-N
XLogP4.97
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol?
The IUPAC name of 2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol (CID 143190350) is 2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol.
What is the SMILES notation for 2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol?
The canonical SMILES for 2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol is CC(Oc1cc(-c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1O.
What is the InChIKey of 2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol?
The InChIKey is MBWFOZVFXGFBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-11(17-14(20)7-8-15(21)18(17)24)25-16-9-13(10-23-19(16)22)12-5-3-2-4-6-12/h2-11,24H,1H3,(H2,22,23).
What are the key properties of 2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol?
2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol has a molecular weight of 358.80 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol is sourced from PubChem (CID 143190350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).