(3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one

C8H6BrFN2O2 — CID 139394002

IUPAC(3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESC[C@H]1Oc2nc(Br)c(F)cc2NC1=O
InChIInChI=1S/C8H6BrFN2O2/c1-3-7(13)11-5-2-4(10)6(9)12-8(5)14-3/h2-3H,1H3,(H,11,13)/t3-/m1/s1
InChIKeyUTXRRWZNSCOLTK-GSVOUGTGSA-N
MW261.05 g/mol
LogP1.70
Rot. Bonds

About (3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one

(3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 139394002) has the molecular formula C8H6BrFN2O2 and a molecular weight of 261.05 g/mol. Its IUPAC name is (3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name(3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
PubChem CID139394002
Molecular FormulaC8H6BrFN2O2
Molecular Weight261.05 g/mol
Exact Mass259.96
IUPAC Name(3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESC[C@H]1Oc2nc(Br)c(F)cc2NC1=O
InChIInChI=1S/C8H6BrFN2O2/c1-3-7(13)11-5-2-4(10)6(9)12-8(5)14-3/h2-3H,1H3,(H,11,13)/t3-/m1/s1
InChIKeyUTXRRWZNSCOLTK-GSVOUGTGSA-N
XLogP1.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.05
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of (3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one (CID 139394002) is (3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for (3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for (3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one is C[C@H]1Oc2nc(Br)c(F)cc2NC1=O.
What is the InChIKey of (3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is UTXRRWZNSCOLTK-GSVOUGTGSA-N. The full InChI is InChI=1S/C8H6BrFN2O2/c1-3-7(13)11-5-2-4(10)6(9)12-8(5)14-3/h2-3H,1H3,(H,11,13)/t3-/m1/s1.
What are the key properties of (3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?
(3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 261.05 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-bromo-7-fluoro-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 139394002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).