6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid

C9H6BrN3O3 — CID 82356898

IUPAC6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cc(Br)cn2c(N=O)c(C(=O)O)nc12
InChIInChI=1S/C9H6BrN3O3/c1-4-2-5(10)3-13-7(4)11-6(9(14)15)8(13)12-16/h2-3H,1H3,(H,14,15)
InChIKeyPWBCTAROZUJEMK-UHFFFAOYSA-N
MW284.07 g/mol
LogP2.50
Rot. Bonds2

About 6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid

6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 82356898) has the molecular formula C9H6BrN3O3 and a molecular weight of 284.07 g/mol. Its IUPAC name is 6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID82356898
Molecular FormulaC9H6BrN3O3
Molecular Weight284.07 g/mol
Exact Mass282.96
IUPAC Name6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cc(Br)cn2c(N=O)c(C(=O)O)nc12
InChIInChI=1S/C9H6BrN3O3/c1-4-2-5(10)3-13-7(4)11-6(9(14)15)8(13)12-16/h2-3H,1H3,(H,14,15)
InChIKeyPWBCTAROZUJEMK-UHFFFAOYSA-N
XLogP2.50
TPSA84.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-cyclopropyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 83170033
7-bromo-2-hydroxy-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 162341321
3,6-dibromo-4-methylpyridine-2-carboxylic acid
CID 104546717
3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid
CID 82356691
1-(6-bromo-2,8-dimethylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82531143
2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 82530556
6-bromo-8-methyl-2-propylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 83170979
6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356837
6-bromo-2-(4-fluorophenyl)-3,8-dimethylimidazo[1,2-a]pyridine
CID 83170660
2-[[6-bromo-8-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxypropanamide
CID 141241002
6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744921
2-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83170655

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid (CID 82356898) is 6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid is Cc1cc(Br)cn2c(N=O)c(C(=O)O)nc12.
What is the InChIKey of 6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is PWBCTAROZUJEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O3/c1-4-2-5(10)3-13-7(4)11-6(9(14)15)8(13)12-16/h2-3H,1H3,(H,14,15).
What are the key properties of 6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid?
6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 284.07 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 82356898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).