5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one

C10H7ClF2N2OS — CID 86676504

IUPAC5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=c1sc2nc(Cl)ccc2n1CC1CC1(F)F
InChIInChI=1S/C10H7ClF2N2OS/c11-7-2-1-6-8(14-7)17-9(16)15(6)4-5-3-10(5,12)13/h1-2,5H,3-4H2
InChIKeyYMJXPSVGCTUBSR-UHFFFAOYSA-N
MW276.69 g/mol
LogP2.77
Rot. Bonds2

About 5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one

5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 86676504) has the molecular formula C10H7ClF2N2OS and a molecular weight of 276.69 g/mol. Its IUPAC name is 5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID86676504
Molecular FormulaC10H7ClF2N2OS
Molecular Weight276.69 g/mol
Exact Mass275.99
IUPAC Name5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=c1sc2nc(Cl)ccc2n1CC1CC1(F)F
InChIInChI=1S/C10H7ClF2N2OS/c11-7-2-1-6-8(14-7)17-9(16)15(6)4-5-3-10(5,12)13/h1-2,5H,3-4H2
InChIKeyYMJXPSVGCTUBSR-UHFFFAOYSA-N
XLogP2.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 86676504) is 5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is O=c1sc2nc(Cl)ccc2n1CC1CC1(F)F.
What is the InChIKey of 5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is YMJXPSVGCTUBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2OS/c11-7-2-1-6-8(14-7)17-9(16)15(6)4-5-3-10(5,12)13/h1-2,5H,3-4H2.
What are the key properties of 5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 276.69 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2,2-difluorocyclopropyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 86676504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).