2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid

C8H6N2O4 — CID 71463966

IUPAC2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid
SMILESO=C1COc2nc(C(=O)O)ccc2N1
InChIInChI=1S/C8H6N2O4/c11-6-3-14-7-4(9-6)1-2-5(10-7)8(12)13/h1-2H,3H2,(H,9,11)(H,12,13)
InChIKeyBVONTIDLPFVSGH-UHFFFAOYSA-N
MW194.15 g/mol
LogP0.11
Rot. Bonds1

About 2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid

2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid (PubChem CID 71463966) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid
PubChem CID71463966
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid
SMILESO=C1COc2nc(C(=O)O)ccc2N1
InChIInChI=1S/C8H6N2O4/c11-6-3-14-7-4(9-6)1-2-5(10-7)8(12)13/h1-2H,3H2,(H,9,11)(H,12,13)
InChIKeyBVONTIDLPFVSGH-UHFFFAOYSA-N
XLogP0.11
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5H-pyridazino[3,4-b][1,4]oxazin-6-one
CID 118023009
3-(3-oxo-4H-1,4-benzoxazin-8-yl)-1H-pyrazole-5-carboxylic acid
CID 117401126
7-benzoyl-4H-1,4-benzoxazin-3-one
CID 3087778
8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid
CID 101479910
2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one
CID 57145879
5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid
CID 156761597
4H-1,4-benzoxazin-3-one;naphthalene
CID 165122765
N,3-dioxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 143404652
N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
8-bromo-3-oxo-4H-1,4-benzoxazine-6-carboxylic acid
CID 68987662
4-(3-oxo-4H-1,4-benzoxazin-8-yl)butanoic acid
CID 117341847
(3-oxo-4H-1,4-benzoxazin-6-yl)boronic acid
CID 57415809

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid?
The IUPAC name of 2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid (CID 71463966) is 2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid.
What is the SMILES notation for 2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid?
The canonical SMILES for 2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid is O=C1COc2nc(C(=O)O)ccc2N1.
What is the InChIKey of 2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid?
The InChIKey is BVONTIDLPFVSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c11-6-3-14-7-4(9-6)1-2-5(10-7)8(12)13/h1-2H,3H2,(H,9,11)(H,12,13).
What are the key properties of 2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid?
2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid has a molecular weight of 194.15 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid is sourced from PubChem (CID 71463966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).