7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde

C8H5FN2O3 — CID 89348149

IUPAC7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
SMILESO=Cc1nc2c(cc1F)OCC(=O)N2
InChIInChI=1S/C8H5FN2O3/c9-4-1-6-8(10-5(4)2-12)11-7(13)3-14-6/h1-2H,3H2,(H,10,11,13)
InChIKeyLGJUHPFUNJGTLV-UHFFFAOYSA-N
MW196.14 g/mol
LogP0.36
Rot. Bonds1

About 7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde

7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde (PubChem CID 89348149) has the molecular formula C8H5FN2O3 and a molecular weight of 196.14 g/mol. Its IUPAC name is 7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
PubChem CID89348149
Molecular FormulaC8H5FN2O3
Molecular Weight196.14 g/mol
Exact Mass196.03
IUPAC Name7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
SMILESO=Cc1nc2c(cc1F)OCC(=O)N2
InChIInChI=1S/C8H5FN2O3/c9-4-1-6-8(10-5(4)2-12)11-7(13)3-14-6/h1-2H,3H2,(H,10,11,13)
InChIKeyLGJUHPFUNJGTLV-UHFFFAOYSA-N
XLogP0.36
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
CID 139270783
3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carbaldehyde
CID 118380684
6,7-difluoro-4H-1,4-benzoxazin-3-one
CID 46930344
7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one
CID 22625608
6-(2-fluorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117001046
7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one
CID 155176000
6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118798842
6-ethynyl-7-fluoro-4H-1,4-benzoxazin-3-one
CID 22625617
2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 57250075
6-(aminomethyl)-7-fluoro-4H-1,4-benzoxazin-3-one
CID 59298314
8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one
CID 166974019
6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 144568295

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde?
The IUPAC name of 7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde (CID 89348149) is 7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde.
What is the SMILES notation for 7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde?
The canonical SMILES for 7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde is O=Cc1nc2c(cc1F)OCC(=O)N2.
What is the InChIKey of 7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde?
The InChIKey is LGJUHPFUNJGTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O3/c9-4-1-6-8(10-5(4)2-12)11-7(13)3-14-6/h1-2H,3H2,(H,10,11,13).
What are the key properties of 7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde?
7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde has a molecular weight of 196.14 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde is sourced from PubChem (CID 89348149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).