2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one

C7H5IN2O2 — CID 91884397

IUPAC2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1Nc2ncccc2OC1I
InChIInChI=1S/C7H5IN2O2/c8-5-7(11)10-6-4(12-5)2-1-3-9-6/h1-3,5H,(H,9,10,11)
InChIKeyQHCVBLBHENYTLV-UHFFFAOYSA-N
MW276.03 g/mol
LogP1.17
Rot. Bonds

About 2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one

2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 91884397) has the molecular formula C7H5IN2O2 and a molecular weight of 276.03 g/mol. Its IUPAC name is 2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID91884397
Molecular FormulaC7H5IN2O2
Molecular Weight276.03 g/mol
Exact Mass275.94
IUPAC Name2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1Nc2ncccc2OC1I
InChIInChI=1S/C7H5IN2O2/c8-5-7(11)10-6-4(12-5)2-1-3-9-6/h1-3,5H,(H,9,10,11)
InChIKeyQHCVBLBHENYTLV-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid
CID 22036235
2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990407
2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990341
2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 13087443
2-(2-chloroethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 3644169
2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990354
2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile
CID 116990406
2-morpholin-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990411
3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid
CID 116990440
3-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)butanenitrile
CID 116990454
2-(2-morpholin-4-ylethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 2766172
2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 2766170

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 91884397) is 2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1Nc2ncccc2OC1I.
What is the InChIKey of 2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is QHCVBLBHENYTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2O2/c8-5-7(11)10-6-4(12-5)2-1-3-9-6/h1-3,5H,(H,9,10,11).
What are the key properties of 2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one?
2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 276.03 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 91884397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).