N-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine

C11H6BrClN6O2 — CID 168806481

IUPACN-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine
SMILESO=[N+]([O-])c1c(Nc2nc(Cl)ncc2Br)ccn2ccnc12
InChIInChI=1S/C11H6BrClN6O2/c12-6-5-15-11(13)17-9(6)16-7-1-3-18-4-2-14-10(18)8(7)19(20)21/h1-5H,(H,15,16,17)
InChIKeyPKTKBYIDPPTJCG-UHFFFAOYSA-N
MW369.57 g/mol
LogP3.19
Rot. Bonds3

About N-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine

N-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine (PubChem CID 168806481) has the molecular formula C11H6BrClN6O2 and a molecular weight of 369.57 g/mol. Its IUPAC name is N-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine
PubChem CID168806481
Molecular FormulaC11H6BrClN6O2
Molecular Weight369.57 g/mol
Exact Mass367.94
IUPAC NameN-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine
SMILESO=[N+]([O-])c1c(Nc2nc(Cl)ncc2Br)ccn2ccnc12
InChIInChI=1S/C11H6BrClN6O2/c12-6-5-15-11(13)17-9(6)16-7-1-3-18-4-2-14-10(18)8(7)19(20)21/h1-5H,(H,15,16,17)
InChIKeyPKTKBYIDPPTJCG-UHFFFAOYSA-N
XLogP3.19
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.57
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine
CID 168806412
5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
CID 82766176
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine
CID 79075215
N-(2,5-dichloropyrimidin-4-yl)-4-nitro-1,3-benzothiazol-5-amine
CID 165395243
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-phenylpyridazin-3-one
CID 123917753
2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
CID 90225297
5-bromo-N-(2-bromo-4-fluorophenyl)-2-chloropyrimidin-4-amine
CID 79075641
2-chloro-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 114043110

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine?
The IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine (CID 168806481) is N-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine.
What is the SMILES notation for N-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine?
The canonical SMILES for N-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine is O=[N+]([O-])c1c(Nc2nc(Cl)ncc2Br)ccn2ccnc12.
What is the InChIKey of N-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine?
The InChIKey is PKTKBYIDPPTJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN6O2/c12-6-5-15-11(13)17-9(6)16-7-1-3-18-4-2-14-10(18)8(7)19(20)21/h1-5H,(H,15,16,17).
What are the key properties of N-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine?
N-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine has a molecular weight of 369.57 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine is sourced from PubChem (CID 168806481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).