4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one

C18H14ClFN2O3 — CID 168942092

IUPAC4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one
SMILESO=c1cc(-c2ccc(F)cc2Cl)c2ccc(N3CCOCC3)nc2o1
InChIInChI=1S/C18H14ClFN2O3/c19-15-9-11(20)1-2-12(15)14-10-17(23)25-18-13(14)3-4-16(21-18)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2
InChIKeyDRSDSXJWIAXDAI-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.48
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one

4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one (PubChem CID 168942092) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one
PubChem CID168942092
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one
SMILESO=c1cc(-c2ccc(F)cc2Cl)c2ccc(N3CCOCC3)nc2o1
InChIInChI=1S/C18H14ClFN2O3/c19-15-9-11(20)1-2-12(15)14-10-17(23)25-18-13(14)3-4-16(21-18)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2
InChIKeyDRSDSXJWIAXDAI-UHFFFAOYSA-N
XLogP3.48
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one (CID 168942092) is 4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one is O=c1cc(-c2ccc(F)cc2Cl)c2ccc(N3CCOCC3)nc2o1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one?
The InChIKey is DRSDSXJWIAXDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c19-15-9-11(20)1-2-12(15)14-10-17(23)25-18-13(14)3-4-16(21-18)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one?
4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one has a molecular weight of 360.77 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 168942092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).