1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione

C13H8BrN3O3 — CID 86592102

IUPAC1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2cncc(Br)c2)c2ncccc12
InChIInChI=1S/C13H8BrN3O3/c14-9-4-8(5-15-6-9)7-17-11-10(2-1-3-16-11)12(18)20-13(17)19/h1-6H,7H2
InChIKeyFPYSIBDHANGPAS-UHFFFAOYSA-N
MW334.13 g/mol
LogP1.56
Rot. Bonds2

About 1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione

1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione (PubChem CID 86592102) has the molecular formula C13H8BrN3O3 and a molecular weight of 334.13 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione
PubChem CID86592102
Molecular FormulaC13H8BrN3O3
Molecular Weight334.13 g/mol
Exact Mass332.97
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2cncc(Br)c2)c2ncccc12
InChIInChI=1S/C13H8BrN3O3/c14-9-4-8(5-15-6-9)7-17-11-10(2-1-3-16-11)12(18)20-13(17)19/h1-6H,7H2
InChIKeyFPYSIBDHANGPAS-UHFFFAOYSA-N
XLogP1.56
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6-methyl-2-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione
CID 87254733
1-bromobutane;1-(thiophen-3-ylmethyl)pyrido[2,3-d][1,3]oxazine-2,4-dione
CID 159247234
1-bromobutane;1-(pyridin-2-ylmethyl)pyrido[2,3-d][1,3]oxazine-2,4-dione
CID 161335663
1-bromobutane;1-[(3-phenoxyphenyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione
CID 158095665
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione
CID 87254927
2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one
CID 104809211
3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 110006022
3-[(5-bromo-3-pyridinyl)methyl]quinazolin-4-one
CID 39528816
3-[(4-bromo-3-nitrophenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 115557909
3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 75509161
1-bromobutane;1-(2-cyclohexylethyl)pyrido[2,3-d][1,3]oxazine-2,4-dione
CID 157162137
2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid
CID 106698884

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione (CID 86592102) is 1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione is O=c1oc(=O)n(Cc2cncc(Br)c2)c2ncccc12.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione?
The InChIKey is FPYSIBDHANGPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O3/c14-9-4-8(5-15-6-9)7-17-11-10(2-1-3-16-11)12(18)20-13(17)19/h1-6H,7H2.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione?
1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione has a molecular weight of 334.13 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione is sourced from PubChem (CID 86592102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).