3-bromo-9-nitropyrimido[1,2-b]indazole

C10H5BrN4O2 — CID 162649514

IUPAC3-bromo-9-nitropyrimido[1,2-b]indazole
SMILESO=[N+]([O-])c1ccc2nn3cc(Br)cnc3c2c1
InChIInChI=1S/C10H5BrN4O2/c11-6-4-12-10-8-3-7(15(16)17)1-2-9(8)13-14(10)5-6/h1-5H
InChIKeyMEGDGLIILJKOJZ-UHFFFAOYSA-N
MW293.08 g/mol
LogP2.55
Rot. Bonds1

About 3-bromo-9-nitropyrimido[1,2-b]indazole

3-bromo-9-nitropyrimido[1,2-b]indazole (PubChem CID 162649514) has the molecular formula C10H5BrN4O2 and a molecular weight of 293.08 g/mol. Its IUPAC name is 3-bromo-9-nitropyrimido[1,2-b]indazole.

Molecular Properties

Compound Name3-bromo-9-nitropyrimido[1,2-b]indazole
PubChem CID162649514
Molecular FormulaC10H5BrN4O2
Molecular Weight293.08 g/mol
Exact Mass291.96
IUPAC Name3-bromo-9-nitropyrimido[1,2-b]indazole
SMILESO=[N+]([O-])c1ccc2nn3cc(Br)cnc3c2c1
InChIInChI=1S/C10H5BrN4O2/c11-6-4-12-10-8-3-7(15(16)17)1-2-9(8)13-14(10)5-6/h1-5H
InChIKeyMEGDGLIILJKOJZ-UHFFFAOYSA-N
XLogP2.55
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 52.55
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 3-bromo-9-nitropyrimido[1,2-b]indazole?
The IUPAC name of 3-bromo-9-nitropyrimido[1,2-b]indazole (CID 162649514) is 3-bromo-9-nitropyrimido[1,2-b]indazole.
What is the SMILES notation for 3-bromo-9-nitropyrimido[1,2-b]indazole?
The canonical SMILES for 3-bromo-9-nitropyrimido[1,2-b]indazole is O=[N+]([O-])c1ccc2nn3cc(Br)cnc3c2c1.
What is the InChIKey of 3-bromo-9-nitropyrimido[1,2-b]indazole?
The InChIKey is MEGDGLIILJKOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN4O2/c11-6-4-12-10-8-3-7(15(16)17)1-2-9(8)13-14(10)5-6/h1-5H.
What are the key properties of 3-bromo-9-nitropyrimido[1,2-b]indazole?
3-bromo-9-nitropyrimido[1,2-b]indazole has a molecular weight of 293.08 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-nitropyrimido[1,2-b]indazole is sourced from PubChem (CID 162649514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).