2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one

C16H14ClNO2S — CID 54716751

IUPAC2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESCC(C)c1c(Cl)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12
InChIInChI=1S/C16H14ClNO2S/c1-8(2)10-12-13(19)11(9-6-4-3-5-7-9)15(20)18-16(12)21-14(10)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyRHGZIHTWBWTZSK-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.74
Rot. Bonds2

About 2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one

2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54716751) has the molecular formula C16H14ClNO2S and a molecular weight of 319.81 g/mol. Its IUPAC name is 2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54716751
Molecular FormulaC16H14ClNO2S
Molecular Weight319.81 g/mol
Exact Mass319.04
IUPAC Name2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESCC(C)c1c(Cl)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12
InChIInChI=1S/C16H14ClNO2S/c1-8(2)10-12-13(19)11(9-6-4-3-5-7-9)15(20)18-16(12)21-14(10)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyRHGZIHTWBWTZSK-UHFFFAOYSA-N
XLogP4.74
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one (CID 54716751) is 2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one is CC(C)c1c(Cl)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12.
What is the InChIKey of 2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is RHGZIHTWBWTZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2S/c1-8(2)10-12-13(19)11(9-6-4-3-5-7-9)15(20)18-16(12)21-14(10)17/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one?
2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 319.81 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hydroxy-5-phenyl-3-propan-2-yl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54716751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).