7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one

C7H5IN2O2 — CID 147566654

IUPAC7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one
SMILESO=C1COc2cc(I)ncc2N1
InChIInChI=1S/C7H5IN2O2/c8-6-1-5-4(2-9-6)10-7(11)3-12-5/h1-2H,3H2,(H,10,11)
InChIKeyFTRVPRATWSZAAW-UHFFFAOYSA-N
MW276.03 g/mol
LogP1.02
Rot. Bonds

About 7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one

7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one (PubChem CID 147566654) has the molecular formula C7H5IN2O2 and a molecular weight of 276.03 g/mol. Its IUPAC name is 7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one
PubChem CID147566654
Molecular FormulaC7H5IN2O2
Molecular Weight276.03 g/mol
Exact Mass275.94
IUPAC Name7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one
SMILESO=C1COc2cc(I)ncc2N1
InChIInChI=1S/C7H5IN2O2/c8-6-1-5-4(2-9-6)10-7(11)3-12-5/h1-2H,3H2,(H,10,11)
InChIKeyFTRVPRATWSZAAW-UHFFFAOYSA-N
XLogP1.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.03
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 55265376
7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one
CID 22625608
6,7-difluoro-4H-1,4-benzoxazin-3-one
CID 46930344
4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione
CID 90860605
7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen
CID 145497410
3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione
CID 140823667
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one
CID 57145879
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759
6-amino-7-methyl-4H-1,4-benzoxazin-3-one
CID 16765287
6-bromo-7-sulfanyl-4H-1,4-benzoxazin-3-one
CID 43152991
6-(chloromethyl)-4H-1,4-benzoxazin-3-one
CID 43121482

Frequently Asked Questions

What is the IUPAC name of 7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one?
The IUPAC name of 7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one (CID 147566654) is 7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one?
The canonical SMILES for 7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one is O=C1COc2cc(I)ncc2N1.
What is the InChIKey of 7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one?
The InChIKey is FTRVPRATWSZAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2O2/c8-6-1-5-4(2-9-6)10-7(11)3-12-5/h1-2H,3H2,(H,10,11).
What are the key properties of 7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one?
7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one has a molecular weight of 276.03 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 147566654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).