[3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone

C23H20ClFN2O3 — CID 56682513

IUPAC[3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(F)c(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1)N1CCOCC1
InChIInChI=1S/C23H20ClFN2O3/c24-19-6-4-17(5-7-19)23(29,18-2-1-9-26-15-18)20-14-16(3-8-21(20)25)22(28)27-10-12-30-13-11-27/h1-9,14-15,29H,10-13H2
InChIKeyITRIDPPZZUXLFW-UHFFFAOYSA-N
MW426.88 g/mol
LogP3.63
Rot. Bonds4

About [3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone

[3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone (PubChem CID 56682513) has the molecular formula C23H20ClFN2O3 and a molecular weight of 426.88 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone
PubChem CID56682513
Molecular FormulaC23H20ClFN2O3
Molecular Weight426.88 g/mol
Exact Mass426.11
IUPAC Name[3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(F)c(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1)N1CCOCC1
InChIInChI=1S/C23H20ClFN2O3/c24-19-6-4-17(5-7-19)23(29,18-2-1-9-26-15-18)20-14-16(3-8-21(20)25)22(28)27-10-12-30-13-11-27/h1-9,14-15,29H,10-13H2
InChIKeyITRIDPPZZUXLFW-UHFFFAOYSA-N
XLogP3.63
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone (CID 56682513) is [3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone is O=C(c1ccc(F)c(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1)N1CCOCC1.
What is the InChIKey of [3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone?
The InChIKey is ITRIDPPZZUXLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O3/c24-19-6-4-17(5-7-19)23(29,18-2-1-9-26-15-18)20-14-16(3-8-21(20)25)22(28)27-10-12-30-13-11-27/h1-9,14-15,29H,10-13H2.
What are the key properties of [3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone?
[3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone has a molecular weight of 426.88 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-4-fluorophenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56682513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).