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

C14H10ClNO2S — CID 54702832

IUPAC2-chloro-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESCc1c(Cl)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12
InChIInChI=1S/C14H10ClNO2S/c1-7-9-11(17)10(8-5-3-2-4-6-8)13(18)16-14(9)19-12(7)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyTTWBTTBMXAMTNT-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.92
Rot. Bonds1

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

2-chloro-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54702832) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-chloro-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-chloro-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54702832
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC Name2-chloro-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESCc1c(Cl)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12
InChIInChI=1S/C14H10ClNO2S/c1-7-9-11(17)10(8-5-3-2-4-6-8)13(18)16-14(9)19-12(7)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyTTWBTTBMXAMTNT-UHFFFAOYSA-N
XLogP3.92
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.92
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-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-chloro-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (CID 54702832) is 2-chloro-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-chloro-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-chloro-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is Cc1c(Cl)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12.
What is the InChIKey of 2-chloro-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is TTWBTTBMXAMTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S/c1-7-9-11(17)10(8-5-3-2-4-6-8)13(18)16-14(9)19-12(7)15/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 2-chloro-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
2-chloro-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 291.76 g/mol, XLogP of 3.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54702832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).