2-amino-1-phenylethanone;2-chloro-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;1-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;pyridin-2-amine

C103H88Cl3N13O13 — CID 163787574

About 2-amino-1-phenylethanone;2-chloro-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;1-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;pyridin-2-amine

2-amino-1-phenylethanone;2-chloro-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;1-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;pyridin-2-amine (PubChem CID 163787574) has the molecular formula C103H88Cl3N13O13 and a molecular weight of 1822.27 g/mol. Its IUPAC name is 2-amino-1-phenylethanone;2-chloro-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;1-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;pyridin-2-amine.

Molecular Properties

• Compound Name: 2-amino-1-phenylethanone;2-chloro-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;1-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;pyridin-2-amine
• PubChem CID: 163787574
• Molecular Formula: C103H88Cl3N13O13
• Molecular Weight: 1822.27 g/mol
• Exact Mass: 1819.57
• IUPAC Name: 2-amino-1-phenylethanone;2-chloro-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;1-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;pyridin-2-amine
• SMILES: Clc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.NCC(=O)c1ccccc1.Nc1ccccn1.O=C(CCC(=O)C1COc2ccc(Oc3ccnc(Cl)c3)cc2C1)c1ccccc1.O=C(O)C1COc2ccc(Oc3ccnc(Cl)c3)cc2C1.c1ccc(-c2cnc(C3COc4ccc(Oc5ccnc(Nc6ccccn6)c5)cc4C3)[nH]2)cc1
• InChI: InChI=1S/C28H23N5O2.C24H20ClNO4.C23H18ClN3O2.C15H12ClNO4.C8H9NO.C5H6N2/c1-2-6-19(7-3-1)24-17-31-28(32-24)21-14-20-15-22(9-10-25(20)34-18-21)35-23-11-13-30-27(16-23)33-26-8-4-5-12-29-26;25-24-14-20(10-11-26-24)30-19-6-9-23-17(13-19)12-18(15-29-23)22(28)8-7-21(27)16-4-2-1-3-5-16;24-22-12-19(8-9-25-22)29-18-6-7-21-16(11-18)10-17(14-28-21)23-26-13-20(27-23)15-4-2-1-3-5-15;16-14-7-12(3-4-17-14)21-11-1-2-13-9(6-11)5-10(8-20-13)15(18)19;9-6-8(10)7-4-2-1-3-5-7;6-5-3-1-2-4-7-5/h1-13,15-17,21H,14,18H2,(H,31,32)(H,29,30,33);1-6,9-11,13-14,18H,7-8,12,15H2;1-9,11-13,17H,10,14H2,(H,26,27);1-4,6-7,10H,5,8H2,(H,18,19);1-5H,6,9H2;1-4H,(H2,6,7)
• InChIKey: MTWIOELQPDTEDL-UHFFFAOYSA-N
• XLogP: 21.72
• TPSA: 361.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1822.27
LogP ≤ 5	21.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylethanone;2-chloro-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;1-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;pyridin-2-amine?

The IUPAC name of 2-amino-1-phenylethanone;2-chloro-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;1-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;pyridin-2-amine (CID 163787574) is 2-amino-1-phenylethanone;2-chloro-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;1-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;pyridin-2-amine.

What is the SMILES notation for 2-amino-1-phenylethanone;2-chloro-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;1-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;pyridin-2-amine?

The canonical SMILES for 2-amino-1-phenylethanone;2-chloro-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;1-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;pyridin-2-amine is Clc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.NCC(=O)c1ccccc1.Nc1ccccn1.O=C(CCC(=O)C1COc2ccc(Oc3ccnc(Cl)c3)cc2C1)c1ccccc1.O=C(O)C1COc2ccc(Oc3ccnc(Cl)c3)cc2C1.c1ccc(-c2cnc(C3COc4ccc(Oc5ccnc(Nc6ccccn6)c5)cc4C3)[nH]2)cc1.

What is the InChIKey of 2-amino-1-phenylethanone;2-chloro-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;1-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;pyridin-2-amine?

The InChIKey is MTWIOELQPDTEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2.C24H20ClNO4.C23H18ClN3O2.C15H12ClNO4.C8H9NO.C5H6N2/c1-2-6-19(7-3-1)24-17-31-28(32-24)21-14-20-15-22(9-10-25(20)34-18-21)35-23-11-13-30-27(16-23)33-26-8-4-5-12-29-26;25-24-14-20(10-11-26-24)30-19-6-9-23-17(13-19)12-18(15-29-23)22(28)8-7-21(27)16-4-2-1-3-5-16;24-22-12-19(8-9-25-22)29-18-6-7-21-16(11-18)10-17(14-28-21)23-26-13-20(27-23)15-4-2-1-3-5-15;16-14-7-12(3-4-17-14)21-11-1-2-13-9(6-11)5-10(8-20-13)15(18)19;9-6-8(10)7-4-2-1-3-5-7;6-5-3-1-2-4-7-5/h1-13,15-17,21H,14,18H2,(H,31,32)(H,29,30,33);1-6,9-11,13-14,18H,7-8,12,15H2;1-9,11-13,17H,10,14H2,(H,26,27);1-4,6-7,10H,5,8H2,(H,18,19);1-5H,6,9H2;1-4H,(H2,6,7).

What are the key properties of 2-amino-1-phenylethanone;2-chloro-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;1-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;pyridin-2-amine?

2-amino-1-phenylethanone;2-chloro-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;1-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;pyridin-2-amine has a molecular weight of 1822.27 g/mol, XLogP of 21.72, 22 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-phenylethanone;2-chloro-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;1-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;pyridin-2-amine is sourced from PubChem (CID 163787574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).