3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid

C9H5N3O5 — CID 82356691

IUPAC3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid
SMILESO=Nc1c(C(=O)O)nc2ccc(C(=O)O)cn12
InChIInChI=1S/C9H5N3O5/c13-8(14)4-1-2-5-10-6(9(15)16)7(11-17)12(5)3-4/h1-3H,(H,13,14)(H,15,16)
InChIKeySGKDOMRPPZCYLT-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.13
Rot. Bonds3

About 3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid

3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid (PubChem CID 82356691) has the molecular formula C9H5N3O5 and a molecular weight of 235.16 g/mol. Its IUPAC name is 3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid
PubChem CID82356691
Molecular FormulaC9H5N3O5
Molecular Weight235.16 g/mol
Exact Mass235.02
IUPAC Name3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid
SMILESO=Nc1c(C(=O)O)nc2ccc(C(=O)O)cn12
InChIInChI=1S/C9H5N3O5/c13-8(14)4-1-2-5-10-6(9(15)16)7(11-17)12(5)3-4/h1-3H,(H,13,14)(H,15,16)
InChIKeySGKDOMRPPZCYLT-UHFFFAOYSA-N
XLogP1.13
TPSA121.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 82355587
ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 14761410
ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 82356768
2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 165478989
3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 84742707
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 154321070
3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82356036
2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83841737
6-bromo-8-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylic acid
CID 82356898
4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531114
2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117257824
3-ethylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 62651900

Frequently Asked Questions

What is the IUPAC name of 3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid?
The IUPAC name of 3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid (CID 82356691) is 3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid is O=Nc1c(C(=O)O)nc2ccc(C(=O)O)cn12.
What is the InChIKey of 3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid?
The InChIKey is SGKDOMRPPZCYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O5/c13-8(14)4-1-2-5-10-6(9(15)16)7(11-17)12(5)3-4/h1-3H,(H,13,14)(H,15,16).
What are the key properties of 3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid?
3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 82356691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).