2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile

C76H72Br5N15O9 — CID 159853319

IUPAC2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile
SMILESBrCc1cccc(Br)n1.Brc1cccc2cncn12.CCOC(=O)C(C(=O)OCC)c1cccc2cncn12.CCOC(=O)Cc1cccc2cncn12.Cc1cccc(Br)n1.N#Cc1ccc(CC(=O)Cc2cccc3cncn23)cc1.NCc1cccc(Br)n1.O=C(O)Cc1cccc2cncn12
InChIInChI=1S/C17H13N3O.C14H16N2O4.C11H12N2O2.C9H8N2O2.C7H5BrN2.C6H5Br2N.C6H7BrN2.C6H6BrN/c18-10-14-6-4-13(5-7-14)8-17(21)9-15-2-1-3-16-11-19-12-20(15)16;1-3-19-13(17)12(14(18)20-4-2)11-7-5-6-10-8-15-9-16(10)11;1-2-15-11(14)6-9-4-3-5-10-7-12-8-13(9)10;12-9(13)4-7-2-1-3-8-5-10-6-11(7)8;8-7-3-1-2-6-4-9-5-10(6)7;7-4-5-2-1-3-6(8)9-5;7-6-3-1-2-5(4-8)9-6;1-5-3-2-4-6(7)8-5/h1-7,11-12H,8-9H2;5-9,12H,3-4H2,1-2H3;3-5,7-8H,2,6H2,1H3;1-3,5-6H,4H2,(H,12,13);1-5H;1-3H,4H2;1-3H,4,8H2;2-4H,1H3
InChIKeyNQFGTFRFQOITQP-UHFFFAOYSA-N
MW1739.03 g/mol
LogP14.80
Rot. Bonds16

About 2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile

2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile (PubChem CID 159853319) has the molecular formula C76H72Br5N15O9 and a molecular weight of 1739.03 g/mol. Its IUPAC name is 2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile.

Molecular Properties

Compound Name2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile
PubChem CID159853319
Molecular FormulaC76H72Br5N15O9
Molecular Weight1739.03 g/mol
Exact Mass1733.16
IUPAC Name2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile
SMILESBrCc1cccc(Br)n1.Brc1cccc2cncn12.CCOC(=O)C(C(=O)OCC)c1cccc2cncn12.CCOC(=O)Cc1cccc2cncn12.Cc1cccc(Br)n1.N#Cc1ccc(CC(=O)Cc2cccc3cncn23)cc1.NCc1cccc(Br)n1.O=C(O)Cc1cccc2cncn12
InChIInChI=1S/C17H13N3O.C14H16N2O4.C11H12N2O2.C9H8N2O2.C7H5BrN2.C6H5Br2N.C6H7BrN2.C6H6BrN/c18-10-14-6-4-13(5-7-14)8-17(21)9-15-2-1-3-16-11-19-12-20(15)16;1-3-19-13(17)12(14(18)20-4-2)11-7-5-6-10-8-15-9-16(10)11;1-2-15-11(14)6-9-4-3-5-10-7-12-8-13(9)10;12-9(13)4-7-2-1-3-8-5-10-6-11(7)8;8-7-3-1-2-6-4-9-5-10(6)7;7-4-5-2-1-3-6(8)9-5;7-6-3-1-2-5(4-8)9-6;1-5-3-2-4-6(7)8-5/h1-7,11-12H,8-9H2;5-9,12H,3-4H2,1-2H3;3-5,7-8H,2,6H2,1H3;1-3,5-6H,4H2,(H,12,13);1-5H;1-3H,4H2;1-3H,4,8H2;2-4H,1H3
InChIKeyNQFGTFRFQOITQP-UHFFFAOYSA-N
XLogP14.80
TPSA308.25 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001739.03
LogP ≤ 514.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile with MolForge

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Related Compounds

Ethyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;ethyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)butyl]benzonitrile;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanoic acid
CID 158877627

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile?
The IUPAC name of 2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile (CID 159853319) is 2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile.
What is the SMILES notation for 2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile?
The canonical SMILES for 2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile is BrCc1cccc(Br)n1.Brc1cccc2cncn12.CCOC(=O)C(C(=O)OCC)c1cccc2cncn12.CCOC(=O)Cc1cccc2cncn12.Cc1cccc(Br)n1.N#Cc1ccc(CC(=O)Cc2cccc3cncn23)cc1.NCc1cccc(Br)n1.O=C(O)Cc1cccc2cncn12.
What is the InChIKey of 2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile?
The InChIKey is NQFGTFRFQOITQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O.C14H16N2O4.C11H12N2O2.C9H8N2O2.C7H5BrN2.C6H5Br2N.C6H7BrN2.C6H6BrN/c18-10-14-6-4-13(5-7-14)8-17(21)9-15-2-1-3-16-11-19-12-20(15)16;1-3-19-13(17)12(14(18)20-4-2)11-7-5-6-10-8-15-9-16(10)11;1-2-15-11(14)6-9-4-3-5-10-7-12-8-13(9)10;12-9(13)4-7-2-1-3-8-5-10-6-11(7)8;8-7-3-1-2-6-4-9-5-10(6)7;7-4-5-2-1-3-6(8)9-5;7-6-3-1-2-5(4-8)9-6;1-5-3-2-4-6(7)8-5/h1-7,11-12H,8-9H2;5-9,12H,3-4H2,1-2H3;3-5,7-8H,2,6H2,1H3;1-3,5-6H,4H2,(H,12,13);1-5H;1-3H,4H2;1-3H,4,8H2;2-4H,1H3.
What are the key properties of 2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile?
2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile has a molecular weight of 1739.03 g/mol, XLogP of 14.80, 16 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(bromomethyl)pyridine;5-bromoimidazo[1,5-a]pyridine;2-bromo-6-methylpyridine;(6-bromo-2-pyridinyl)methanamine;diethyl 2-imidazo[1,5-a]pyridin-5-ylpropanedioate;ethyl 2-imidazo[1,5-a]pyridin-5-ylacetate;2-imidazo[1,5-a]pyridin-5-ylacetic acid;4-(3-imidazo[1,5-a]pyridin-5-yl-2-oxopropyl)benzonitrile is sourced from PubChem (CID 159853319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).