6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C7H4BrN3O2 — CID 23584104

IUPAC6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(Br)cnc2[nH]1
InChIInChI=1S/C7H4BrN3O2/c8-3-1-4-5(9-2-3)10-7(13)11-6(4)12/h1-2H,(H2,9,10,11,12,13)
InChIKeyNVEZTQHZGXJZFC-UHFFFAOYSA-N
MW242.03 g/mol
LogP0.37
Rot. Bonds

About 6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione

6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 23584104) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID23584104
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(Br)cnc2[nH]1
InChIInChI=1S/C7H4BrN3O2/c8-3-1-4-5(9-2-3)10-7(13)11-6(4)12/h1-2H,(H2,9,10,11,12,13)
InChIKeyNVEZTQHZGXJZFC-UHFFFAOYSA-N
XLogP0.37
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 23584104) is 6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)c2cc(Br)cnc2[nH]1.
What is the InChIKey of 6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NVEZTQHZGXJZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-3-1-4-5(9-2-3)10-7(13)11-6(4)12/h1-2H,(H2,9,10,11,12,13).
What are the key properties of 6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 242.03 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 23584104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).