6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine

C8H6BrN3O — CID 82356837

IUPAC6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCc1nc2ccc(Br)cn2c1N=O
InChIInChI=1S/C8H6BrN3O/c1-5-8(11-13)12-4-6(9)2-3-7(12)10-5/h2-4H,1H3
InChIKeyPJWRRJLZHXNLCJ-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.80
Rot. Bonds1

About 6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine

6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 82356837) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID82356837
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCc1nc2ccc(Br)cn2c1N=O
InChIInChI=1S/C8H6BrN3O/c1-5-8(11-13)12-4-6(9)2-3-7(12)10-5/h2-4H,1H3
InChIKeyPJWRRJLZHXNLCJ-UHFFFAOYSA-N
XLogP2.80
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine (CID 82356837) is 6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine is Cc1nc2ccc(Br)cn2c1N=O.
What is the InChIKey of 6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is PJWRRJLZHXNLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c1-5-8(11-13)12-4-6(9)2-3-7(12)10-5/h2-4H,1H3.
What are the key properties of 6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine?
6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine has a molecular weight of 240.06 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 82356837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).