3-benzoylthiopyrano[2,3-b]pyridin-2-one

C15H9NO2S — CID 12867722

IUPAC3-benzoylthiopyrano[2,3-b]pyridin-2-one
SMILESO=C(c1ccccc1)c1cc2cccnc2sc1=O
InChIInChI=1S/C15H9NO2S/c17-13(10-5-2-1-3-6-10)12-9-11-7-4-8-16-14(11)19-15(12)18/h1-9H
InChIKeyVNOLKLZOAPHATM-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.89
Rot. Bonds2

About 3-benzoylthiopyrano[2,3-b]pyridin-2-one

3-benzoylthiopyrano[2,3-b]pyridin-2-one (PubChem CID 12867722) has the molecular formula C15H9NO2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-benzoylthiopyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-benzoylthiopyrano[2,3-b]pyridin-2-one
PubChem CID12867722
Molecular FormulaC15H9NO2S
Molecular Weight267.31 g/mol
Exact Mass267.04
IUPAC Name3-benzoylthiopyrano[2,3-b]pyridin-2-one
SMILESO=C(c1ccccc1)c1cc2cccnc2sc1=O
InChIInChI=1S/C15H9NO2S/c17-13(10-5-2-1-3-6-10)12-9-11-7-4-8-16-14(11)19-15(12)18/h1-9H
InChIKeyVNOLKLZOAPHATM-UHFFFAOYSA-N
XLogP2.89
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

thieno[2,3-b]pyridin-2-yl benzoate
CID 167343123
thieno[2,3-b]pyridin-2-ol
CID 89200152
thieno[2,3-b]pyridin-2-ylcarbamic acid
CID 142702940
3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one
CID 67007318
thieno[2,3-b]pyridine-2-carboxylate
CID 7162094
hydron;thieno[2,3-b]pyridine-2-carboxamide
CID 174476240
3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one
CID 817895
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
indolo[1,2-a]quinolin-6-yl(phenyl)methanone
CID 102044389
anthracene;diphenylmethanone
CID 87408663
N-methylthieno[2,3-b]pyridin-2-amine
CID 119083689

Frequently Asked Questions

What is the IUPAC name of 3-benzoylthiopyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-benzoylthiopyrano[2,3-b]pyridin-2-one (CID 12867722) is 3-benzoylthiopyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-benzoylthiopyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-benzoylthiopyrano[2,3-b]pyridin-2-one is O=C(c1ccccc1)c1cc2cccnc2sc1=O.
What is the InChIKey of 3-benzoylthiopyrano[2,3-b]pyridin-2-one?
The InChIKey is VNOLKLZOAPHATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO2S/c17-13(10-5-2-1-3-6-10)12-9-11-7-4-8-16-14(11)19-15(12)18/h1-9H.
What are the key properties of 3-benzoylthiopyrano[2,3-b]pyridin-2-one?
3-benzoylthiopyrano[2,3-b]pyridin-2-one has a molecular weight of 267.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoylthiopyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 12867722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).