2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane

C86H117Br5N12O14 — CID 157394715

IUPAC2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane
SMILESC.C.CN.Cc1cc(C(O)CN(CCO)C(=O)OC(C)(C)C)cnc1Br.Cc1cc(C(O)CNCCO)cnc1Br.Cc1cc(C2CN(C(=O)OC(C)(C)C)CCO2)cnc1Br.Cc1cc(C2CN(C(=O)OC(C)(C)C)CCO2)cnc1N=C(c1ccccc1)c1ccccc1.Cc1cc(C2CO2)cnc1Br.Cc1cc(C=O)cnc1Br
InChIInChI=1S/C28H31N3O3.C15H23BrN2O4.C15H21BrN2O3.C10H15BrN2O2.C8H8BrNO.C7H6BrNO.CH5N.2CH4/c1-20-17-23(24-19-31(15-16-33-24)27(32)34-28(2,3)4)18-29-26(20)30-25(21-11-7-5-8-12-21)22-13-9-6-10-14-22;1-10-7-11(8-17-13(10)16)12(20)9-18(5-6-19)14(21)22-15(2,3)4;1-10-7-11(8-17-13(10)16)12-9-18(5-6-20-12)14(19)21-15(2,3)4;1-7-4-8(5-13-10(7)11)9(15)6-12-2-3-14;1-5-2-6(7-4-11-7)3-10-8(5)9;1-5-2-6(4-10)3-9-7(5)8;1-2;;/h5-14,17-18,24H,15-16,19H2,1-4H3;7-8,12,19-20H,5-6,9H2,1-4H3;7-8,12H,5-6,9H2,1-4H3;4-5,9,12,14-15H,2-3,6H2,1H3;2-3,7H,4H2,1H3;2-4H,1H3;2H2,1H3;2*1H4
InChIKeyBMKUPZDIECYPSS-UHFFFAOYSA-N
MW1942.47 g/mol
LogP17.55
Rot. Bonds17

About 2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane

2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane (PubChem CID 157394715) has the molecular formula C86H117Br5N12O14 and a molecular weight of 1942.47 g/mol. Its IUPAC name is 2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane.

Molecular Properties

Compound Name2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane
PubChem CID157394715
Molecular FormulaC86H117Br5N12O14
Molecular Weight1942.47 g/mol
Exact Mass1936.47
IUPAC Name2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane
SMILESC.C.CN.Cc1cc(C(O)CN(CCO)C(=O)OC(C)(C)C)cnc1Br.Cc1cc(C(O)CNCCO)cnc1Br.Cc1cc(C2CN(C(=O)OC(C)(C)C)CCO2)cnc1Br.Cc1cc(C2CN(C(=O)OC(C)(C)C)CCO2)cnc1N=C(c1ccccc1)c1ccccc1.Cc1cc(C2CO2)cnc1Br.Cc1cc(C=O)cnc1Br
InChIInChI=1S/C28H31N3O3.C15H23BrN2O4.C15H21BrN2O3.C10H15BrN2O2.C8H8BrNO.C7H6BrNO.CH5N.2CH4/c1-20-17-23(24-19-31(15-16-33-24)27(32)34-28(2,3)4)18-29-26(20)30-25(21-11-7-5-8-12-21)22-13-9-6-10-14-22;1-10-7-11(8-17-13(10)16)12(20)9-18(5-6-19)14(21)22-15(2,3)4;1-10-7-11(8-17-13(10)16)12-9-18(5-6-20-12)14(19)21-15(2,3)4;1-7-4-8(5-13-10(7)11)9(15)6-12-2-3-14;1-5-2-6(7-4-11-7)3-10-8(5)9;1-5-2-6(4-10)3-9-7(5)8;1-2;;/h5-14,17-18,24H,15-16,19H2,1-4H3;7-8,12,19-20H,5-6,9H2,1-4H3;7-8,12H,5-6,9H2,1-4H3;4-5,9,12,14-15H,2-3,6H2,1H3;2-3,7H,4H2,1H3;2-4H,1H3;2H2,1H3;2*1H4
InChIKeyBMKUPZDIECYPSS-UHFFFAOYSA-N
XLogP17.55
TPSA345.35 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001942.47
LogP ≤ 517.55
H-Bond Donors ≤ 56
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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane with MolForge

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Related Compounds

tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-formyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(1-hydroxy-2-methylpropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]propan-1-ol
CID 157610416
2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;tert-butyl (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoate;hydrobromide
CID 158572491
2-amino-5-bromo-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
CID 158672010
tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;1-O-tert-butyl 6-O-methyl 3,4-dihydro-2H-1,8-naphthyridine-1,6-dicarboxylate;ethane;8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylic acid;methyl 5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate
CID 158721042
5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate
CID 158735325
2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide
CID 159602468
2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;tert-butyl (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoate;methane;hydrobromide
CID 160693032
1-[5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-iodopyridine-3-carboxylate
CID 161132988
Methyl 5-bromo-2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 161539725
2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten
CID 162001070

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane?
The IUPAC name of 2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane (CID 157394715) is 2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane.
What is the SMILES notation for 2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane?
The canonical SMILES for 2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane is C.C.CN.Cc1cc(C(O)CN(CCO)C(=O)OC(C)(C)C)cnc1Br.Cc1cc(C(O)CNCCO)cnc1Br.Cc1cc(C2CN(C(=O)OC(C)(C)C)CCO2)cnc1Br.Cc1cc(C2CN(C(=O)OC(C)(C)C)CCO2)cnc1N=C(c1ccccc1)c1ccccc1.Cc1cc(C2CO2)cnc1Br.Cc1cc(C=O)cnc1Br.
What is the InChIKey of 2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane?
The InChIKey is BMKUPZDIECYPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3.C15H23BrN2O4.C15H21BrN2O3.C10H15BrN2O2.C8H8BrNO.C7H6BrNO.CH5N.2CH4/c1-20-17-23(24-19-31(15-16-33-24)27(32)34-28(2,3)4)18-29-26(20)30-25(21-11-7-5-8-12-21)22-13-9-6-10-14-22;1-10-7-11(8-17-13(10)16)12(20)9-18(5-6-19)14(21)22-15(2,3)4;1-10-7-11(8-17-13(10)16)12-9-18(5-6-20-12)14(19)21-15(2,3)4;1-7-4-8(5-13-10(7)11)9(15)6-12-2-3-14;1-5-2-6(7-4-11-7)3-10-8(5)9;1-5-2-6(4-10)3-9-7(5)8;1-2;;/h5-14,17-18,24H,15-16,19H2,1-4H3;7-8,12,19-20H,5-6,9H2,1-4H3;7-8,12H,5-6,9H2,1-4H3;4-5,9,12,14-15H,2-3,6H2,1H3;2-3,7H,4H2,1H3;2-4H,1H3;2H2,1H3;2*1H4.
What are the key properties of 2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane?
2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane has a molecular weight of 1942.47 g/mol, XLogP of 17.55, 17 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane is sourced from PubChem (CID 157394715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).