(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;3-[(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methoxy]propanenitrile;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]benzoic acid;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]-N,N-diethylbenzamide;7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine;[7-bromo-3-chloro-5-(trimethylsilyloxymethyl)chromeno[2,3-c]pyridin-5-yl]imino-iminoazanium;6-chloropyridin-3-ol;trimethylalumane

C109H94AlBr7Cl8N17O16Si+ — CID 158478792

About (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;3-[(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methoxy]propanenitrile;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]benzoic acid;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]-N,N-diethylbenzamide;7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine;[7-bromo-3-chloro-5-(trimethylsilyloxymethyl)chromeno[2,3-c]pyridin-5-yl]imino-iminoazanium;6-chloropyridin-3-ol;trimethylalumane

(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;3-[(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methoxy]propanenitrile;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]benzoic acid;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]-N,N-diethylbenzamide;7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine;[7-bromo-3-chloro-5-(trimethylsilyloxymethyl)chromeno[2,3-c]pyridin-5-yl]imino-iminoazanium;6-chloropyridin-3-ol;trimethylalumane (PubChem CID 158478792) has the molecular formula C109H94AlBr7Cl8N17O16Si+ and a molecular weight of 2796.07 g/mol. Its IUPAC name is (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;3-[(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methoxy]propanenitrile;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]benzoic acid;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]-N,N-diethylbenzamide;7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine;[7-bromo-3-chloro-5-(trimethylsilyloxymethyl)chromeno[2,3-c]pyridin-5-yl]imino-iminoazanium;6-chloropyridin-3-ol;trimethylalumane.

Molecular Properties

• Compound Name: (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;3-[(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methoxy]propanenitrile;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]benzoic acid;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]-N,N-diethylbenzamide;7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine;[7-bromo-3-chloro-5-(trimethylsilyloxymethyl)chromeno[2,3-c]pyridin-5-yl]imino-iminoazanium;6-chloropyridin-3-ol;trimethylalumane
• PubChem CID: 158478792
• Molecular Formula: C109H94AlBr7Cl8N17O16Si+
• Molecular Weight: 2796.07 g/mol
• Exact Mass: 2783.84
• IUPAC Name: (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;3-[(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methoxy]propanenitrile;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]benzoic acid;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]-N,N-diethylbenzamide;7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine;[7-bromo-3-chloro-5-(trimethylsilyloxymethyl)chromeno[2,3-c]pyridin-5-yl]imino-iminoazanium;6-chloropyridin-3-ol;trimethylalumane
• SMILES: CCN(CC)C(=O)c1cc(Br)ccc1Oc1ccc(Cl)nc1.C[Al](C)C.C[Si](C)(C)OCC1(N=[N+]=N)c2cc(Br)ccc2Oc2cnc(Cl)cc21.N#CCCOCC1(N)c2cc(Br)ccc2Oc2cnc(Cl)cc21.NC1(CO)c2cc(Br)ccc2Oc2cnc(Cl)cc21.NC1=NC2(COCC1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.O=C(O)c1cc(Br)ccc1Oc1ccc(Cl)nc1.O=c1c2cc(Br)ccc2oc2cnc(Cl)cc12.Oc1ccc(Cl)nc1
• InChI: InChI=1S/C16H17BrClN4O2Si.2C16H13BrClN3O2.C16H16BrClN2O2.C13H10BrClN2O2.C12H7BrClNO3.C12H5BrClNO2.C5H4ClNO.3CH3.Al/c1-25(2,3)23-9-16(21-22-19)11-6-10(17)4-5-13(11)24-14-8-20-15(18)7-12(14)16;17-9-1-2-12-10(5-9)16(8-22-4-3-15(19)21-16)11-6-14(18)20-7-13(11)23-12;17-10-2-3-13-11(6-10)16(20,9-22-5-1-4-19)12-7-15(18)21-8-14(12)23-13;1-3-20(4-2)16(21)13-9-11(17)5-7-14(13)22-12-6-8-15(18)19-10-12;14-7-1-2-10-8(3-7)13(16,6-18)9-4-12(15)17-5-11(9)19-10;13-7-1-3-10(9(5-7)12(16)17)18-8-2-4-11(14)15-6-8;13-6-1-2-9-7(3-6)12(16)8-4-11(14)15-5-10(8)17-9;6-5-2-1-4(8)3-7-5;;;;/h4-8,19H,9H2,1-3H3;1-2,5-7H,3-4,8H2,(H2,19,21);2-3,6-8H,1,5,9,20H2;5-10H,3-4H2,1-2H3;1-5,18H,6,16H2;1-6H,(H,16,17);1-5H;1-3,8H;3*1H3;/q+1
• InChIKey: QCMRYCPQPZUTOP-UHFFFAOYSA-N
• XLogP: 30.73
• TPSA: 478.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2796.07
LogP ≤ 5	30.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;3-[(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methoxy]propanenitrile;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]benzoic acid;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]-N,N-diethylbenzamide;7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine;[7-bromo-3-chloro-5-(trimethylsilyloxymethyl)chromeno[2,3-c]pyridin-5-yl]imino-iminoazanium;6-chloropyridin-3-ol;trimethylalumane?

The IUPAC name of (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;3-[(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methoxy]propanenitrile;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]benzoic acid;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]-N,N-diethylbenzamide;7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine;[7-bromo-3-chloro-5-(trimethylsilyloxymethyl)chromeno[2,3-c]pyridin-5-yl]imino-iminoazanium;6-chloropyridin-3-ol;trimethylalumane (CID 158478792) is (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;3-[(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methoxy]propanenitrile;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]benzoic acid;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]-N,N-diethylbenzamide;7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine;[7-bromo-3-chloro-5-(trimethylsilyloxymethyl)chromeno[2,3-c]pyridin-5-yl]imino-iminoazanium;6-chloropyridin-3-ol;trimethylalumane.

What is the SMILES notation for (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;3-[(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methoxy]propanenitrile;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]benzoic acid;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]-N,N-diethylbenzamide;7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine;[7-bromo-3-chloro-5-(trimethylsilyloxymethyl)chromeno[2,3-c]pyridin-5-yl]imino-iminoazanium;6-chloropyridin-3-ol;trimethylalumane?

The canonical SMILES for (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;3-[(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methoxy]propanenitrile;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]benzoic acid;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]-N,N-diethylbenzamide;7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine;[7-bromo-3-chloro-5-(trimethylsilyloxymethyl)chromeno[2,3-c]pyridin-5-yl]imino-iminoazanium;6-chloropyridin-3-ol;trimethylalumane is CCN(CC)C(=O)c1cc(Br)ccc1Oc1ccc(Cl)nc1.C[Al](C)C.C[Si](C)(C)OCC1(N=[N+]=N)c2cc(Br)ccc2Oc2cnc(Cl)cc21.N#CCCOCC1(N)c2cc(Br)ccc2Oc2cnc(Cl)cc21.NC1(CO)c2cc(Br)ccc2Oc2cnc(Cl)cc21.NC1=NC2(COCC1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.O=C(O)c1cc(Br)ccc1Oc1ccc(Cl)nc1.O=c1c2cc(Br)ccc2oc2cnc(Cl)cc12.Oc1ccc(Cl)nc1.

What is the InChIKey of (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;3-[(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methoxy]propanenitrile;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]benzoic acid;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]-N,N-diethylbenzamide;7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine;[7-bromo-3-chloro-5-(trimethylsilyloxymethyl)chromeno[2,3-c]pyridin-5-yl]imino-iminoazanium;6-chloropyridin-3-ol;trimethylalumane?

The InChIKey is QCMRYCPQPZUTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN4O2Si.2C16H13BrClN3O2.C16H16BrClN2O2.C13H10BrClN2O2.C12H7BrClNO3.C12H5BrClNO2.C5H4ClNO.3CH3.Al/c1-25(2,3)23-9-16(21-22-19)11-6-10(17)4-5-13(11)24-14-8-20-15(18)7-12(14)16;17-9-1-2-12-10(5-9)16(8-22-4-3-15(19)21-16)11-6-14(18)20-7-13(11)23-12;17-10-2-3-13-11(6-10)16(20,9-22-5-1-4-19)12-7-15(18)21-8-14(12)23-13;1-3-20(4-2)16(21)13-9-11(17)5-7-14(13)22-12-6-8-15(18)19-10-12;14-7-1-2-10-8(3-7)13(16,6-18)9-4-12(15)17-5-11(9)19-10;13-7-1-3-10(9(5-7)12(16)17)18-8-2-4-11(14)15-6-8;13-6-1-2-9-7(3-6)12(16)8-4-11(14)15-5-10(8)17-9;6-5-2-1-4(8)3-7-5;;;;/h4-8,19H,9H2,1-3H3;1-2,5-7H,3-4,8H2,(H2,19,21);2-3,6-8H,1,5,9,20H2;5-10H,3-4H2,1-2H3;1-5,18H,6,16H2;1-6H,(H,16,17);1-5H;1-3,8H;3*1H3;/q+1;;;;;;;;;;;.

What are the key properties of (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;3-[(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methoxy]propanenitrile;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]benzoic acid;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]-N,N-diethylbenzamide;7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine;[7-bromo-3-chloro-5-(trimethylsilyloxymethyl)chromeno[2,3-c]pyridin-5-yl]imino-iminoazanium;6-chloropyridin-3-ol;trimethylalumane?

(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;3-[(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methoxy]propanenitrile;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]benzoic acid;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]-N,N-diethylbenzamide;7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine;[7-bromo-3-chloro-5-(trimethylsilyloxymethyl)chromeno[2,3-c]pyridin-5-yl]imino-iminoazanium;6-chloropyridin-3-ol;trimethylalumane has a molecular weight of 2796.07 g/mol, XLogP of 30.73, 17 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;3-[(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methoxy]propanenitrile;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]benzoic acid;5-bromo-2-[(6-chloro-3-pyridinyl)oxy]-N,N-diethylbenzamide;7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine;[7-bromo-3-chloro-5-(trimethylsilyloxymethyl)chromeno[2,3-c]pyridin-5-yl]imino-iminoazanium;6-chloropyridin-3-ol;trimethylalumane is sourced from PubChem (CID 158478792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).