6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine

C14H11BrN4O2 — CID 83168312

IUPAC6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(Br)cn2c(N)c(-c3ccc([N+](=O)[O-])cc3)nc12
InChIInChI=1S/C14H11BrN4O2/c1-8-6-10(15)7-18-13(16)12(17-14(8)18)9-2-4-11(5-3-9)19(20)21/h2-7H,16H2,1H3
InChIKeyGVICDQKVCCKPJR-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.56
Rot. Bonds2

About 6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine

6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 83168312) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is 6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID83168312
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(Br)cn2c(N)c(-c3ccc([N+](=O)[O-])cc3)nc12
InChIInChI=1S/C14H11BrN4O2/c1-8-6-10(15)7-18-13(16)12(17-14(8)18)9-2-4-11(5-3-9)19(20)21/h2-7H,16H2,1H3
InChIKeyGVICDQKVCCKPJR-UHFFFAOYSA-N
XLogP3.56
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.56
H-Bond Donors ≤ 51
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

6-bromo-8-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 83171049
2-(3-amino-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 107936784
6-chloro-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 82531054
6-bromo-2-(4,5-dibromothiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 102844434
6-bromo-2-(4,5-dibromofuran-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83170495
3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029739
6-bromo-2-(4-chlorothiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83169941
2-(4-bromophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 63618640
2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866412
3-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2759948
2-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83170655
6-bromo-2-butan-2-yl-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83171128

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine (CID 83168312) is 6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine is Cc1cc(Br)cn2c(N)c(-c3ccc([N+](=O)[O-])cc3)nc12.
What is the InChIKey of 6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is GVICDQKVCCKPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c1-8-6-10(15)7-18-13(16)12(17-14(8)18)9-2-4-11(5-3-9)19(20)21/h2-7H,16H2,1H3.
What are the key properties of 6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 347.17 g/mol, XLogP of 3.56, 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-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 83168312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).