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

C14H11ClN4O2 — CID 82528913

IUPAC8-chloro-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nc3c(Cl)cccn3c2N)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClN4O2/c1-8-4-5-9(7-11(8)19(20)21)12-13(16)18-6-2-3-10(15)14(18)17-12/h2-7H,16H2,1H3
InChIKeyZFRZSWOYSGXQOI-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.45
Rot. Bonds2

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

8-chloro-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 82528913) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 8-chloro-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name8-chloro-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID82528913
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name8-chloro-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nc3c(Cl)cccn3c2N)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClN4O2/c1-8-4-5-9(7-11(8)19(20)21)12-13(16)18-6-2-3-10(15)14(18)17-12/h2-7H,16H2,1H3
InChIKeyZFRZSWOYSGXQOI-UHFFFAOYSA-N
XLogP3.45
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.45
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

2-(3,4-dichlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 56687055
2-(3-bromophenyl)-8-chloroimidazo[1,2-a]pyridin-3-amine
CID 103095006
2-(3-bromo-4-fluorophenyl)-8-chloroimidazo[1,2-a]pyridin-3-amine
CID 103095072
1,2,3-trichloro-5-(4-methyl-3-nitrophenyl)benzene
CID 134628498
2-(3,4-dimethylphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-amine
CID 63617301
2-(4-butan-2-ylphenyl)-8-chloroimidazo[1,2-a]pyridin-3-amine
CID 82528923
8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63616942
[8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 82529315
2-(3-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 106818523
2-(3-fluoro-4-methylphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-amine
CID 63645866
8-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 82529168
2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 5297530

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 8-chloro-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyridin-3-amine (CID 82528913) is 8-chloro-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 8-chloro-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 8-chloro-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyridin-3-amine is Cc1ccc(-c2nc3c(Cl)cccn3c2N)cc1[N+](=O)[O-].
What is the InChIKey of 8-chloro-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is ZFRZSWOYSGXQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-8-4-5-9(7-11(8)19(20)21)12-13(16)18-6-2-3-10(15)14(18)17-12/h2-7H,16H2,1H3.
What are the key properties of 8-chloro-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
8-chloro-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 302.72 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 82528913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).