6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine

C12H6BrClN4O2 — CID 90411524

IUPAC6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2cn3cc(Br)cnc3n2)c1
InChIInChI=1S/C12H6BrClN4O2/c13-7-4-15-12-16-11(6-17(12)5-7)9-3-8(18(19)20)1-2-10(9)14/h1-6H
InChIKeyGJKFSLKZXKOTPZ-UHFFFAOYSA-N
MW353.56 g/mol
LogP3.72
Rot. Bonds2

About 6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine

6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine (PubChem CID 90411524) has the molecular formula C12H6BrClN4O2 and a molecular weight of 353.56 g/mol. Its IUPAC name is 6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine
PubChem CID90411524
Molecular FormulaC12H6BrClN4O2
Molecular Weight353.56 g/mol
Exact Mass351.94
IUPAC Name6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2cn3cc(Br)cnc3n2)c1
InChIInChI=1S/C12H6BrClN4O2/c13-7-4-15-12-16-11(6-17(12)5-7)9-3-8(18(19)20)1-2-10(9)14/h1-6H
InChIKeyGJKFSLKZXKOTPZ-UHFFFAOYSA-N
XLogP3.72
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.56
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide
CID 144718110
2-(2-chloro-5-nitrophenyl)-5-methylpyridine
CID 66878225
4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine
CID 157037280
6-(4-bromophenyl)-2-(2-chloro-5-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 71505007
1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene
CID 134630362
5-bromo-2-[(2-chloro-5-nitrophenoxy)methyl]pyridine
CID 113455750
2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile
CID 5117890
5-bromo-3-chloro-N-[(3-nitrophenyl)methyl]pyridin-2-amine
CID 103580153
N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
CID 43389509
N-[(4-bromophenyl)methyl]-2-chloro-5-nitroaniline
CID 43718810
1,2-dichloro-4-nitrobenzene;1,2,3-trichloro-5-nitrobenzene
CID 155677930
2-(5-bromo-2-pyridinyl)-5-nitroindazole
CID 67126046

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine (CID 90411524) is 6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine is O=[N+]([O-])c1ccc(Cl)c(-c2cn3cc(Br)cnc3n2)c1.
What is the InChIKey of 6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is GJKFSLKZXKOTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN4O2/c13-7-4-15-12-16-11(6-17(12)5-7)9-3-8(18(19)20)1-2-10(9)14/h1-6H.
What are the key properties of 6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine?
6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 353.56 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 90411524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).