5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid

C13H8N4O4 — CID 103200812

IUPAC5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(-c3ccccc3[N+](=O)[O-])ccnc2n1
InChIInChI=1S/C13H8N4O4/c18-12(19)9-7-16-10(5-6-14-13(16)15-9)8-3-1-2-4-11(8)17(20)21/h1-7H,(H,18,19)
InChIKeyYOEXDKNXGSXNEM-UHFFFAOYSA-N
MW284.23 g/mol
LogP2.00
Rot. Bonds3

About 5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid

5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 103200812) has the molecular formula C13H8N4O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID103200812
Molecular FormulaC13H8N4O4
Molecular Weight284.23 g/mol
Exact Mass284.05
IUPAC Name5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(-c3ccccc3[N+](=O)[O-])ccnc2n1
InChIInChI=1S/C13H8N4O4/c18-12(19)9-7-16-10(5-6-14-13(16)15-9)8-3-1-2-4-11(8)17(20)21/h1-7H,(H,18,19)
InChIKeyYOEXDKNXGSXNEM-UHFFFAOYSA-N
XLogP2.00
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 52.00
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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Related Compounds

2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine
CID 103282407
N-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 103318266
[4-(2-nitrophenyl)pyrimidin-2-yl]carbamic acid
CID 139503337
5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 10220749
ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200747
5-(2-nitrophenyl)-1-propan-2-ylpyrazole
CID 22493341
N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide
CID 167981545
1-benzyl-2,5-bis(2-nitrophenyl)pyrrole
CID 141232872
1-[1-methyl-5-(2-nitrophenyl)pyrrol-3-yl]ethanone
CID 71725241
2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 150456791
4-(2-nitrophenyl)-2-phenylpyridine
CID 102105042
N-[[2-(2-nitrophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 62748621

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 103200812) is 5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cn2c(-c3ccccc3[N+](=O)[O-])ccnc2n1.
What is the InChIKey of 5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is YOEXDKNXGSXNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O4/c18-12(19)9-7-16-10(5-6-14-13(16)15-9)8-3-1-2-4-11(8)17(20)21/h1-7H,(H,18,19).
What are the key properties of 5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 103200812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).