7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one

C7H4BrN3O — CID 135682052

IUPAC7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(Br)cnc12
InChIInChI=1S/C7H4BrN3O/c8-4-1-5-6(9-2-4)7(12)11-3-10-5/h1-3H,(H,10,11,12)
InChIKeyNGLZIMDUQCALAS-UHFFFAOYSA-N
MW226.03 g/mol
LogP1.08
Rot. Bonds

About 7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one

7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 135682052) has the molecular formula C7H4BrN3O and a molecular weight of 226.03 g/mol. Its IUPAC name is 7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID135682052
Molecular FormulaC7H4BrN3O
Molecular Weight226.03 g/mol
Exact Mass224.95
IUPAC Name7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(Br)cnc12
InChIInChI=1S/C7H4BrN3O/c8-4-1-5-6(9-2-4)7(12)11-3-10-5/h1-3H,(H,10,11,12)
InChIKeyNGLZIMDUQCALAS-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3H,4H-pyrido(3,2-d)pyrimidin-4-one
CID 135703334
5-Bromo-N-methylpyridine-2-carboxamide
CID 22831620
2-Methylpyrido[3,2-d]pyrimidin-4(3H)-one
CID 135703359
5-Bromopyridine-2-carboxamide
CID 735151
3-Amino-pyridine-2-carboxylic acid amide
CID 13238725
4-Bromopicolinamide
CID 693291
3-Amino-5-bromopyridine-2-carboxamide
CID 21075862
3-Amino-5-bromopyridine-2-carbaldehyde
CID 72217741
3-Bromo-1,7-naphthyridin-8-ol
CID 89500608
6-bromo-3H,4H-pyrido(3,2-d)pyrimidin-4-one
CID 137032185
3-Bromo[1,5]naphthyridin-4-ol
CID 824639
N-[4-(4-bromophenyl)-3-oxo-3,4-dihydropyrazin-2-yl]pyridine-2-carboxamide
CID 53118448

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one (CID 135682052) is 7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2cc(Br)cnc12.
What is the InChIKey of 7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is NGLZIMDUQCALAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O/c8-4-1-5-6(9-2-4)7(12)11-3-10-5/h1-3H,(H,10,11,12).
What are the key properties of 7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one?
7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 226.03 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135682052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).