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

C7H4BrN3O — CID 137032185

IUPAC6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2ccc(Br)nc12
InChIInChI=1S/C7H4BrN3O/c8-5-2-1-4-6(11-5)7(12)10-3-9-4/h1-3H,(H,9,10,12)
InChIKeyZMLAKQMLQBXHAL-UHFFFAOYSA-N
MW226.03 g/mol
LogP1.08
Rot. Bonds

About 6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one

6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 137032185) has the molecular formula C7H4BrN3O and a molecular weight of 226.03 g/mol. Its IUPAC name is 6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID137032185
Molecular FormulaC7H4BrN3O
Molecular Weight226.03 g/mol
Exact Mass224.95
IUPAC Name6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2ccc(Br)nc12
InChIInChI=1S/C7H4BrN3O/c8-5-2-1-4-6(11-5)7(12)10-3-9-4/h1-3H,(H,9,10,12)
InChIKeyZMLAKQMLQBXHAL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135427088
6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 155340602
5-bromo-6-chloro-3H-quinazolin-4-one
CID 155434942
6-(3-methylsulfonylphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 166400304
2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile
CID 167979770
5-bromo-3H-pyrido[4,3-d]pyrimidin-4-one
CID 137262042
5-bromo-6-oxo-1H-pyrimidine-4-carbaldehyde
CID 136981407
6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 167918056
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 136929412
7-amino-5-bromo-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135542052
methane;3H-quinazolin-4-one
CID 143348425
2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid
CID 167791732

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one (CID 137032185) is 6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2ccc(Br)nc12.
What is the InChIKey of 6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is ZMLAKQMLQBXHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O/c8-5-2-1-4-6(11-5)7(12)10-3-9-4/h1-3H,(H,9,10,12).
What are the key properties of 6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one?
6-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 6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137032185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).