6-bromo-3-nitropyrazolo[1,5-a]pyrimidine

C6H3BrN4O2 — CID 1276705

IUPAC6-bromo-3-nitropyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cnn2cc(Br)cnc12
InChIInChI=1S/C6H3BrN4O2/c7-4-1-8-6-5(11(12)13)2-9-10(6)3-4/h1-3H
InChIKeyCVNKNIPAWYTDAX-UHFFFAOYSA-N
MW243.02 g/mol
LogP1.40
Rot. Bonds1

About 6-bromo-3-nitropyrazolo[1,5-a]pyrimidine

6-bromo-3-nitropyrazolo[1,5-a]pyrimidine (PubChem CID 1276705) has the molecular formula C6H3BrN4O2 and a molecular weight of 243.02 g/mol. Its IUPAC name is 6-bromo-3-nitropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-3-nitropyrazolo[1,5-a]pyrimidine
PubChem CID1276705
Molecular FormulaC6H3BrN4O2
Molecular Weight243.02 g/mol
Exact Mass241.94
IUPAC Name6-bromo-3-nitropyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cnn2cc(Br)cnc12
InChIInChI=1S/C6H3BrN4O2/c7-4-1-8-6-5(11(12)13)2-9-10(6)3-4/h1-3H
InChIKeyCVNKNIPAWYTDAX-UHFFFAOYSA-N
XLogP1.40
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.02
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-nitropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-bromo-3-nitropyrazolo[1,5-a]pyrimidine (CID 1276705) is 6-bromo-3-nitropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-bromo-3-nitropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-bromo-3-nitropyrazolo[1,5-a]pyrimidine is O=[N+]([O-])c1cnn2cc(Br)cnc12.
What is the InChIKey of 6-bromo-3-nitropyrazolo[1,5-a]pyrimidine?
The InChIKey is CVNKNIPAWYTDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN4O2/c7-4-1-8-6-5(11(12)13)2-9-10(6)3-4/h1-3H.
What are the key properties of 6-bromo-3-nitropyrazolo[1,5-a]pyrimidine?
6-bromo-3-nitropyrazolo[1,5-a]pyrimidine has a molecular weight of 243.02 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-nitropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1276705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).