6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine

C12H9BrN4O3 — CID 79736809

IUPAC6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cc2nc(-c3ccc([N+](=O)[O-])o3)c(N)n2cc1Br
InChIInChI=1S/C12H9BrN4O3/c1-6-4-9-15-11(12(14)16(9)5-7(6)13)8-2-3-10(20-8)17(18)19/h2-5H,14H2,1H3
InChIKeyCZCCOPIMMKWPOU-UHFFFAOYSA-N
MW337.13 g/mol
LogP3.16
Rot. Bonds2

About 6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine

6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 79736809) has the molecular formula C12H9BrN4O3 and a molecular weight of 337.13 g/mol. Its IUPAC name is 6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID79736809
Molecular FormulaC12H9BrN4O3
Molecular Weight337.13 g/mol
Exact Mass335.99
IUPAC Name6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cc2nc(-c3ccc([N+](=O)[O-])o3)c(N)n2cc1Br
InChIInChI=1S/C12H9BrN4O3/c1-6-4-9-15-11(12(14)16(9)5-7(6)13)8-2-3-10(20-8)17(18)19/h2-5H,14H2,1H3
InChIKeyCZCCOPIMMKWPOU-UHFFFAOYSA-N
XLogP3.16
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 79736809) is 6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1cc2nc(-c3ccc([N+](=O)[O-])o3)c(N)n2cc1Br.
What is the InChIKey of 6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is CZCCOPIMMKWPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O3/c1-6-4-9-15-11(12(14)16(9)5-7(6)13)8-2-3-10(20-8)17(18)19/h2-5H,14H2,1H3.
What are the key properties of 6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 337.13 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 79736809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).