2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one

C19H13ClN2O3S — CID 66936712

IUPAC2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESCc1ccc(-c2c(Cl)sc3[nH]c(=O)c(-c4cccnc4)c(O)c23)c(O)c1
InChIInChI=1S/C19H13ClN2O3S/c1-9-4-5-11(12(23)7-9)14-15-16(24)13(10-3-2-6-21-8-10)18(25)22-19(15)26-17(14)20/h2-8,23H,1H3,(H2,22,24,25)
InChIKeyRQBCLBVIOWGBJR-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.69
Rot. Bonds2

About 2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one

2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 66936712) has the molecular formula C19H13ClN2O3S and a molecular weight of 384.84 g/mol. Its IUPAC name is 2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID66936712
Molecular FormulaC19H13ClN2O3S
Molecular Weight384.84 g/mol
Exact Mass384.03
IUPAC Name2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESCc1ccc(-c2c(Cl)sc3[nH]c(=O)c(-c4cccnc4)c(O)c23)c(O)c1
InChIInChI=1S/C19H13ClN2O3S/c1-9-4-5-11(12(23)7-9)14-15-16(24)13(10-3-2-6-21-8-10)18(25)22-19(15)26-17(14)20/h2-8,23H,1H3,(H2,22,24,25)
InChIKeyRQBCLBVIOWGBJR-UHFFFAOYSA-N
XLogP4.69
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one (CID 66936712) is 2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one is Cc1ccc(-c2c(Cl)sc3[nH]c(=O)c(-c4cccnc4)c(O)c23)c(O)c1.
What is the InChIKey of 2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is RQBCLBVIOWGBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3S/c1-9-4-5-11(12(23)7-9)14-15-16(24)13(10-3-2-6-21-8-10)18(25)22-19(15)26-17(14)20/h2-8,23H,1H3,(H2,22,24,25).
What are the key properties of 2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 384.84 g/mol, XLogP of 4.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hydroxy-3-(2-hydroxy-4-methylphenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 66936712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).