6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane

C99H123Br5Cl2N18O10Sn — CID 160747979

IUPAC6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane
SMILESC.CCN(CC)CC.CCO.CCOc1ccc(CN)cc1.CCOc1ccc(CNc2ncc(Br)cc2N)cc1.CCOc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1.CCOc1ccc(Cn2cnc3cc(Br)cnc32)cc1.CCOc1ccc(Cn2cnc3cc(NCc4ccc(CC)cc4)cnc32)cc1.CCc1ccc(CN)cc1.Cl[Sn]Cl.O=[N+]([O-])c1cc(Br)cnc1Br
InChIInChI=1S/C24H26N4O.C15H14BrN3O.C14H14BrN3O3.C14H16BrN3O.C9H13NO.C9H13N.C6H15N.C5H2Br2N2O2.C2H6O.CH4.2ClH.Sn/c1-3-18-5-7-19(8-6-18)14-25-21-13-23-24(26-15-21)28(17-27-23)16-20-9-11-22(12-10-20)29-4-2;1-2-20-13-5-3-11(4-6-13)9-19-10-18-14-7-12(16)8-17-15(14)19;1-2-21-12-5-3-10(4-6-12)8-16-14-13(18(19)20)7-11(15)9-17-14;1-2-19-12-5-3-10(4-6-12)8-17-14-13(16)7-11(15)9-18-14;1-2-11-9-5-3-8(7-10)4-6-9;1-2-8-3-5-9(7-10)6-4-8;1-4-7(5-2)6-3;6-3-1-4(9(10)11)5(7)8-2-3;1-2-3;;;;/h5-13,15,17,25H,3-4,14,16H2,1-2H3;3-8,10H,2,9H2,1H3;3-7,9H,2,8H2,1H3,(H,16,17);3-7,9H,2,8,16H2,1H3,(H,17,18);3-6H,2,7,10H2,1H3;3-6H,2,7,10H2,1H3;4-6H2,1-3H3;1-2H;3H,2H2,1H3;1H4;2*1H;/q;;;;;;;;;;;;+2/p-2
InChIKeyRWKZWJWARWAHRJ-UHFFFAOYSA-L
MW2314.33 g/mol
LogP24.64
Rot. Bonds32

About 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane

6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane (PubChem CID 160747979) has the molecular formula C99H123Br5Cl2N18O10Sn and a molecular weight of 2314.33 g/mol. Its IUPAC name is 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane.

Molecular Properties

Compound Name6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane
PubChem CID160747979
Molecular FormulaC99H123Br5Cl2N18O10Sn
Molecular Weight2314.33 g/mol
Exact Mass2308.40
IUPAC Name6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane
SMILESC.CCN(CC)CC.CCO.CCOc1ccc(CN)cc1.CCOc1ccc(CNc2ncc(Br)cc2N)cc1.CCOc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1.CCOc1ccc(Cn2cnc3cc(Br)cnc32)cc1.CCOc1ccc(Cn2cnc3cc(NCc4ccc(CC)cc4)cnc32)cc1.CCc1ccc(CN)cc1.Cl[Sn]Cl.O=[N+]([O-])c1cc(Br)cnc1Br
InChIInChI=1S/C24H26N4O.C15H14BrN3O.C14H14BrN3O3.C14H16BrN3O.C9H13NO.C9H13N.C6H15N.C5H2Br2N2O2.C2H6O.CH4.2ClH.Sn/c1-3-18-5-7-19(8-6-18)14-25-21-13-23-24(26-15-21)28(17-27-23)16-20-9-11-22(12-10-20)29-4-2;1-2-20-13-5-3-11(4-6-13)9-19-10-18-14-7-12(16)8-17-15(14)19;1-2-21-12-5-3-10(4-6-12)8-16-14-13(18(19)20)7-11(15)9-17-14;1-2-19-12-5-3-10(4-6-12)8-17-14-13(16)7-11(15)9-18-14;1-2-11-9-5-3-8(7-10)4-6-9;1-2-8-3-5-9(7-10)6-4-8;1-4-7(5-2)6-3;6-3-1-4(9(10)11)5(7)8-2-3;1-2-3;;;;/h5-13,15,17,25H,3-4,14,16H2,1-2H3;3-8,10H,2,9H2,1H3;3-7,9H,2,8H2,1H3,(H,16,17);3-7,9H,2,8,16H2,1H3,(H,17,18);3-6H,2,7,10H2,1H3;3-6H,2,7,10H2,1H3;4-6H2,1-3H3;1-2H;3H,2H2,1H3;1H4;2*1H;/q;;;;;;;;;;;;+2/p-2
InChIKeyRWKZWJWARWAHRJ-UHFFFAOYSA-L
XLogP24.64
TPSA370.14 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002314.33
LogP ≤ 524.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane?
The IUPAC name of 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane (CID 160747979) is 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane.
What is the SMILES notation for 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane?
The canonical SMILES for 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane is C.CCN(CC)CC.CCO.CCOc1ccc(CN)cc1.CCOc1ccc(CNc2ncc(Br)cc2N)cc1.CCOc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1.CCOc1ccc(Cn2cnc3cc(Br)cnc32)cc1.CCOc1ccc(Cn2cnc3cc(NCc4ccc(CC)cc4)cnc32)cc1.CCc1ccc(CN)cc1.Cl[Sn]Cl.O=[N+]([O-])c1cc(Br)cnc1Br.
What is the InChIKey of 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane?
The InChIKey is RWKZWJWARWAHRJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H26N4O.C15H14BrN3O.C14H14BrN3O3.C14H16BrN3O.C9H13NO.C9H13N.C6H15N.C5H2Br2N2O2.C2H6O.CH4.2ClH.Sn/c1-3-18-5-7-19(8-6-18)14-25-21-13-23-24(26-15-21)28(17-27-23)16-20-9-11-22(12-10-20)29-4-2;1-2-20-13-5-3-11(4-6-13)9-19-10-18-14-7-12(16)8-17-15(14)19;1-2-21-12-5-3-10(4-6-12)8-16-14-13(18(19)20)7-11(15)9-17-14;1-2-19-12-5-3-10(4-6-12)8-17-14-13(16)7-11(15)9-18-14;1-2-11-9-5-3-8(7-10)4-6-9;1-2-8-3-5-9(7-10)6-4-8;1-4-7(5-2)6-3;6-3-1-4(9(10)11)5(7)8-2-3;1-2-3;;;;/h5-13,15,17,25H,3-4,14,16H2,1-2H3;3-8,10H,2,9H2,1H3;3-7,9H,2,8H2,1H3,(H,16,17);3-7,9H,2,8,16H2,1H3,(H,17,18);3-6H,2,7,10H2,1H3;3-6H,2,7,10H2,1H3;4-6H2,1-3H3;1-2H;3H,2H2,1H3;1H4;2*1H;/q;;;;;;;;;;;;+2/p-2.
What are the key properties of 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane?
6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane has a molecular weight of 2314.33 g/mol, XLogP of 24.64, 32 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane is sourced from PubChem (CID 160747979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).