7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one

C9H8F2N2OS — CID 175780474

IUPAC7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one
SMILESO=c1cc(NCC(F)F)c2sccc2[nH]1
InChIInChI=1S/C9H8F2N2OS/c10-7(11)4-12-6-3-8(14)13-5-1-2-15-9(5)6/h1-3,7H,4H2,(H2,12,13,14)
InChIKeyPPLPCQRORJNETQ-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.27
Rot. Bonds3

About 7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one

7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 175780474) has the molecular formula C9H8F2N2OS and a molecular weight of 230.24 g/mol. Its IUPAC name is 7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one
PubChem CID175780474
Molecular FormulaC9H8F2N2OS
Molecular Weight230.24 g/mol
Exact Mass230.03
IUPAC Name7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one
SMILESO=c1cc(NCC(F)F)c2sccc2[nH]1
InChIInChI=1S/C9H8F2N2OS/c10-7(11)4-12-6-3-8(14)13-5-1-2-15-9(5)6/h1-3,7H,4H2,(H2,12,13,14)
InChIKeyPPLPCQRORJNETQ-UHFFFAOYSA-N
XLogP2.27
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one (CID 175780474) is 7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one is O=c1cc(NCC(F)F)c2sccc2[nH]1.
What is the InChIKey of 7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is PPLPCQRORJNETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2OS/c10-7(11)4-12-6-3-8(14)13-5-1-2-15-9(5)6/h1-3,7H,4H2,(H2,12,13,14).
What are the key properties of 7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one?
7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 230.24 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 175780474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).