2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one

C15H12ClNO2S — CID 10518705

IUPAC2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one
SMILESCc1ccccc1C(=O)N1CCC(=O)c2sc(Cl)cc21
InChIInChI=1S/C15H12ClNO2S/c1-9-4-2-3-5-10(9)15(19)17-7-6-12(18)14-11(17)8-13(16)20-14/h2-5,8H,6-7H2,1H3
InChIKeyZFVQRENQXZBYRI-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.94
Rot. Bonds1

About 2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one

2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one (PubChem CID 10518705) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one
PubChem CID10518705
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one
SMILESCc1ccccc1C(=O)N1CCC(=O)c2sc(Cl)cc21
InChIInChI=1S/C15H12ClNO2S/c1-9-4-2-3-5-10(9)15(19)17-7-6-12(18)14-11(17)8-13(16)20-14/h2-5,8H,6-7H2,1H3
InChIKeyZFVQRENQXZBYRI-UHFFFAOYSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one?
The IUPAC name of 2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one (CID 10518705) is 2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one?
The canonical SMILES for 2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one is Cc1ccccc1C(=O)N1CCC(=O)c2sc(Cl)cc21.
What is the InChIKey of 2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one?
The InChIKey is ZFVQRENQXZBYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c1-9-4-2-3-5-10(9)15(19)17-7-6-12(18)14-11(17)8-13(16)20-14/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one?
2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one has a molecular weight of 305.79 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 10518705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).