(7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite

C8H4ClF2N3OS — CID 169255559

IUPAC(7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite
SMILESCOc1nc(SF)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C8H4ClF2N3OS/c1-15-7-3-2-12-6(9)4(10)5(3)13-8(14-7)16-11/h2H,1H3
InChIKeyXQPBDRYUTIXEIJ-UHFFFAOYSA-N
MW263.66 g/mol
LogP2.80
Rot. Bonds2

About (7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite

(7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite (PubChem CID 169255559) has the molecular formula C8H4ClF2N3OS and a molecular weight of 263.66 g/mol. Its IUPAC name is (7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite.

Molecular Properties

Compound Name(7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite
PubChem CID169255559
Molecular FormulaC8H4ClF2N3OS
Molecular Weight263.66 g/mol
Exact Mass262.97
IUPAC Name(7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite
SMILESCOc1nc(SF)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C8H4ClF2N3OS/c1-15-7-3-2-12-6(9)4(10)5(3)13-8(14-7)16-11/h2H,1H3
InChIKeyXQPBDRYUTIXEIJ-UHFFFAOYSA-N
XLogP2.80
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite?
The IUPAC name of (7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite (CID 169255559) is (7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite.
What is the SMILES notation for (7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite?
The canonical SMILES for (7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite is COc1nc(SF)nc2c(F)c(Cl)ncc12.
What is the InChIKey of (7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite?
The InChIKey is XQPBDRYUTIXEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2N3OS/c1-15-7-3-2-12-6(9)4(10)5(3)13-8(14-7)16-11/h2H,1H3.
What are the key properties of (7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite?
(7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite has a molecular weight of 263.66 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite is sourced from PubChem (CID 169255559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).