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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Related Compounds

3,6,7-trihydroxy-2-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 168891087
5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 134629506
2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine
CID 119007781
6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 82337728
2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134629724
2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one
CID 129139347
2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 71060395
6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol
CID 119008086
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
3-chloro-5-[4-(trifluoromethyl)phenyl]phenol
CID 53221450
3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134626315
1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
CID 57139215

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).