5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid

C88H76Br9N15O15 — CID 157276223

IUPAC5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCOC(=O)c1c(-c2ccccc2)ccc2cncn12.COC(=O)c1c(Br)ccc2cncn12.COC(=O)c1nc(C)ccc1Br.COC(=O)c1nc(CBr)ccc1Br.COC(=O)c1nc(CN)ccc1Br.Cc1ccc(Br)c(C#N)n1.Cc1ccc(Br)c(C(=O)O)n1.Cc1ccc(Br)c[n+]1[O-].Cc1ccc(Br)cn1.O=C(O)c1c(-c2ccccc2)ccc2cncn12
InChIInChI=1S/C15H12N2O2.C14H10N2O2.C9H7BrN2O2.C8H7Br2NO2.C8H9BrN2O2.C8H8BrNO2.C7H5BrN2.C7H6BrNO2.C6H6BrNO.C6H6BrN/c1-19-15(18)14-13(11-5-3-2-4-6-11)8-7-12-9-16-10-17(12)14;17-14(18)13-12(10-4-2-1-3-5-10)7-6-11-8-15-9-16(11)13;1-14-9(13)8-7(10)3-2-6-4-11-5-12(6)8;1-13-8(12)7-6(10)3-2-5(4-9)11-7;1-13-8(12)7-6(9)3-2-5(4-10)11-7;1-5-3-4-6(9)7(10-5)8(11)12-2;1-5-2-3-6(8)7(4-9)10-5;1-4-2-3-5(8)6(9-4)7(10)11;1-5-2-3-6(7)4-8(5)9;1-5-2-3-6(7)4-8-5/h2-10H,1H3;1-9H,(H,17,18);2-5H,1H3;2-3H,4H2,1H3;2-3H,4,10H2,1H3;3-4H,1-2H3;2-3H,1H3;2-3H,1H3,(H,10,11);2-4H,1H3;2-4H,1H3
InChIKeyAZDDYVHVMSJEJZ-UHFFFAOYSA-N
MW2302.80 g/mol
LogP20.34
Rot. Bonds11

About 5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid

5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 157276223) has the molecular formula C88H76Br9N15O15 and a molecular weight of 2302.80 g/mol. Its IUPAC name is 5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID157276223
Molecular FormulaC88H76Br9N15O15
Molecular Weight2302.80 g/mol
Exact Mass2292.83
IUPAC Name5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCOC(=O)c1c(-c2ccccc2)ccc2cncn12.COC(=O)c1c(Br)ccc2cncn12.COC(=O)c1nc(C)ccc1Br.COC(=O)c1nc(CBr)ccc1Br.COC(=O)c1nc(CN)ccc1Br.Cc1ccc(Br)c(C#N)n1.Cc1ccc(Br)c(C(=O)O)n1.Cc1ccc(Br)c[n+]1[O-].Cc1ccc(Br)cn1.O=C(O)c1c(-c2ccccc2)ccc2cncn12
InChIInChI=1S/C15H12N2O2.C14H10N2O2.C9H7BrN2O2.C8H7Br2NO2.C8H9BrN2O2.C8H8BrNO2.C7H5BrN2.C7H6BrNO2.C6H6BrNO.C6H6BrN/c1-19-15(18)14-13(11-5-3-2-4-6-11)8-7-12-9-16-10-17(12)14;17-14(18)13-12(10-4-2-1-3-5-10)7-6-11-8-15-9-16(11)13;1-14-9(13)8-7(10)3-2-6-4-11-5-12(6)8;1-13-8(12)7-6(10)3-2-5(4-9)11-7;1-13-8(12)7-6(9)3-2-5(4-10)11-7;1-5-3-4-6(9)7(10-5)8(11)12-2;1-5-2-3-6(8)7(4-9)10-5;1-4-2-3-5(8)6(9-4)7(10)11;1-5-2-3-6(7)4-8(5)9;1-5-2-3-6(7)4-8-5/h2-10H,1H3;1-9H,(H,17,18);2-5H,1H3;2-3H,4H2,1H3;2-3H,4,10H2,1H3;3-4H,1-2H3;2-3H,1H3;2-3H,1H3,(H,10,11);2-4H,1H3;2-4H,1H3
InChIKeyAZDDYVHVMSJEJZ-UHFFFAOYSA-N
XLogP20.34
TPSA412.09 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds11
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002302.80
LogP ≤ 520.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid with MolForge

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Related Compounds

1,3-Bis(7-phenylimidazo[1,5-a]pyridin-5-yl)propan-2-one;methyl 6-(aminomethyl)-4-phenylpyridine-2-carboxylate;methyl 6-(3-oxopropyl)-4-phenylpyridine-2-carboxylate;methyl 7-phenylimidazo[1,5-a]pyridine-5-carboxylate;7-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 157929061
3-Bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 158520936
6-Bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate
CID 159026670
Benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylic acid
CID 159496558
6-Bromoimidazo[1,5-a]pyridine-5-carbaldehyde;(6-bromoimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(6-bromoimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;ethyl 3-bromo-6-(1,3-dioxoisoindole-2-carbonyl)pyridine-2-carboxylate;ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate;ethyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methane
CID 159594167
6-Bromoimidazo[1,5-a]pyridine-5-carbaldehyde;(6-bromoimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(6-bromoimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate;ethyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methane
CID 160188406
(6-Bromoimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(6-bromoimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone;cyclohexyl-(6-methylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-(6-methylimidazo[1,5-a]pyridin-5-yl)methanone;methane
CID 160750506
5-(Chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 162122314

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid (CID 157276223) is 5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid is COC(=O)c1c(-c2ccccc2)ccc2cncn12.COC(=O)c1c(Br)ccc2cncn12.COC(=O)c1nc(C)ccc1Br.COC(=O)c1nc(CBr)ccc1Br.COC(=O)c1nc(CN)ccc1Br.Cc1ccc(Br)c(C#N)n1.Cc1ccc(Br)c(C(=O)O)n1.Cc1ccc(Br)c[n+]1[O-].Cc1ccc(Br)cn1.O=C(O)c1c(-c2ccccc2)ccc2cncn12.
What is the InChIKey of 5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is AZDDYVHVMSJEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2.C14H10N2O2.C9H7BrN2O2.C8H7Br2NO2.C8H9BrN2O2.C8H8BrNO2.C7H5BrN2.C7H6BrNO2.C6H6BrNO.C6H6BrN/c1-19-15(18)14-13(11-5-3-2-4-6-11)8-7-12-9-16-10-17(12)14;17-14(18)13-12(10-4-2-1-3-5-10)7-6-11-8-15-9-16(11)13;1-14-9(13)8-7(10)3-2-6-4-11-5-12(6)8;1-13-8(12)7-6(10)3-2-5(4-9)11-7;1-13-8(12)7-6(9)3-2-5(4-10)11-7;1-5-3-4-6(9)7(10-5)8(11)12-2;1-5-2-3-6(8)7(4-9)10-5;1-4-2-3-5(8)6(9-4)7(10)11;1-5-2-3-6(7)4-8(5)9;1-5-2-3-6(7)4-8-5/h2-10H,1H3;1-9H,(H,17,18);2-5H,1H3;2-3H,4H2,1H3;2-3H,4,10H2,1H3;3-4H,1-2H3;2-3H,1H3;2-3H,1H3,(H,10,11);2-4H,1H3;2-4H,1H3.
What are the key properties of 5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid?
5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 2302.80 g/mol, XLogP of 20.34, 11 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 157276223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).