7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one

C15H7ClF3NO3 — CID 129138636

IUPAC7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one
SMILESO=c1c(O)c(-c2ccc(C(F)(F)F)cc2)oc2cc(Cl)cnc12
InChIInChI=1S/C15H7ClF3NO3/c16-9-5-10-11(20-6-9)12(21)13(22)14(23-10)7-1-3-8(4-2-7)15(17,18)19/h1-6,22H
InChIKeyAESZUKWUMONPEK-UHFFFAOYSA-N
MW341.67 g/mol
LogP4.23
Rot. Bonds1

About 7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one

7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one (PubChem CID 129138636) has the molecular formula C15H7ClF3NO3 and a molecular weight of 341.67 g/mol. Its IUPAC name is 7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one.

Molecular Properties

Compound Name7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one
PubChem CID129138636
Molecular FormulaC15H7ClF3NO3
Molecular Weight341.67 g/mol
Exact Mass341.01
IUPAC Name7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one
SMILESO=c1c(O)c(-c2ccc(C(F)(F)F)cc2)oc2cc(Cl)cnc12
InChIInChI=1S/C15H7ClF3NO3/c16-9-5-10-11(20-6-9)12(21)13(22)14(23-10)7-1-3-8(4-2-7)15(17,18)19/h1-6,22H
InChIKeyAESZUKWUMONPEK-UHFFFAOYSA-N
XLogP4.23
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.67
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one?
The IUPAC name of 7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one (CID 129138636) is 7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one.
What is the SMILES notation for 7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one?
The canonical SMILES for 7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one is O=c1c(O)c(-c2ccc(C(F)(F)F)cc2)oc2cc(Cl)cnc12.
What is the InChIKey of 7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one?
The InChIKey is AESZUKWUMONPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3NO3/c16-9-5-10-11(20-6-9)12(21)13(22)14(23-10)7-1-3-8(4-2-7)15(17,18)19/h1-6,22H.
What are the key properties of 7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one?
7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one has a molecular weight of 341.67 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one is sourced from PubChem (CID 129138636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).