[2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid

C17H16BrN3O4 — CID 2757136

IUPAC[2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid
SMILESCc1ccc2nc(-c3ccc(Br)cc3)c(CN)n2c1.O=C(O)C(=O)O
InChIInChI=1S/C15H14BrN3.C2H2O4/c1-10-2-7-14-18-15(13(8-17)19(14)9-10)11-3-5-12(16)6-4-11;3-1(4)2(5)6/h2-7,9H,8,17H2,1H3;(H,3,4)(H,5,6)
InChIKeyMXBBLLOFZYMHNI-UHFFFAOYSA-N
MW406.24 g/mol
LogP2.69
Rot. Bonds2

About [2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid

[2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid (PubChem CID 2757136) has the molecular formula C17H16BrN3O4 and a molecular weight of 406.24 g/mol. Its IUPAC name is [2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid.

Molecular Properties

Compound Name[2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid
PubChem CID2757136
Molecular FormulaC17H16BrN3O4
Molecular Weight406.24 g/mol
Exact Mass405.03
IUPAC Name[2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid
SMILESCc1ccc2nc(-c3ccc(Br)cc3)c(CN)n2c1.O=C(O)C(=O)O
InChIInChI=1S/C15H14BrN3.C2H2O4/c1-10-2-7-14-18-15(13(8-17)19(14)9-10)11-3-5-12(16)6-4-11;3-1(4)2(5)6/h2-7,9H,8,17H2,1H3;(H,3,4)(H,5,6)
InChIKeyMXBBLLOFZYMHNI-UHFFFAOYSA-N
XLogP2.69
TPSA117.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid?
The IUPAC name of [2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid (CID 2757136) is [2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid.
What is the SMILES notation for [2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid?
The canonical SMILES for [2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid is Cc1ccc2nc(-c3ccc(Br)cc3)c(CN)n2c1.O=C(O)C(=O)O.
What is the InChIKey of [2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid?
The InChIKey is MXBBLLOFZYMHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3.C2H2O4/c1-10-2-7-14-18-15(13(8-17)19(14)9-10)11-3-5-12(16)6-4-11;3-1(4)2(5)6/h2-7,9H,8,17H2,1H3;(H,3,4)(H,5,6).
What are the key properties of [2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid?
[2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid has a molecular weight of 406.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid is sourced from PubChem (CID 2757136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).