2-bromoethanol;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methane;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C70H82B2Br2F2N14O7 — CID 163458744

About 2-bromoethanol;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methane;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

2-bromoethanol;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methane;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 163458744) has the molecular formula C70H82B2Br2F2N14O7 and a molecular weight of 1450.94 g/mol. Its IUPAC name is 2-bromoethanol;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methane;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: 2-bromoethanol;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methane;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 163458744
• Molecular Formula: C70H82B2Br2F2N14O7
• Molecular Weight: 1450.94 g/mol
• Exact Mass: 1448.50
• IUPAC Name: 2-bromoethanol;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methane;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: C.CC1(C)OB(c2cn[nH]c2)OC1(C)C.COCCn1cc(-c2cc(-c3ccc4ncnc(C)c4c3)c(-c3ccc(F)cc3)nc2N)cn1.COCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Cc1ncnc2ccc(-c3cc(Br)c(N)nc3-c3ccc(F)cc3)cc12.OCCBr
• InChI: InChI=1S/C26H23FN6O.C20H14BrFN4.C12H21BN2O3.C9H15BN2O2.C2H5BrO.CH4/c1-16-21-11-18(5-8-24(21)30-15-29-16)22-12-23(19-13-31-33(14-19)9-10-34-2)26(28)32-25(22)17-3-6-20(27)7-4-17;1-11-15-8-13(4-7-18(15)25-10-24-11)16-9-17(21)20(23)26-19(16)12-2-5-14(22)6-3-12;1-11(2)12(3,4)18-13(17-11)10-8-14-15(9-10)6-7-16-5;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;3-1-2-4;/h3-8,11-15H,9-10H2,1-2H3,(H2,28,32);2-10H,1H3,(H2,23,26);8-9H,6-7H2,1-5H3;5-6H,1-4H3,(H,11,12);4H,1-2H2;1H4
• InChIKey: BMTGKCQQLXIRCA-UHFFFAOYSA-N
• XLogP: 12.60
• TPSA: 269.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1450.94
LogP ≤ 5	12.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromoethanol;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methane;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of 2-bromoethanol;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methane;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 163458744) is 2-bromoethanol;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methane;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

What is the SMILES notation for 2-bromoethanol;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methane;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The canonical SMILES for 2-bromoethanol;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methane;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is C.CC1(C)OB(c2cn[nH]c2)OC1(C)C.COCCn1cc(-c2cc(-c3ccc4ncnc(C)c4c3)c(-c3ccc(F)cc3)nc2N)cn1.COCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Cc1ncnc2ccc(-c3cc(Br)c(N)nc3-c3ccc(F)cc3)cc12.OCCBr.

What is the InChIKey of 2-bromoethanol;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methane;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is BMTGKCQQLXIRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O.C20H14BrFN4.C12H21BN2O3.C9H15BN2O2.C2H5BrO.CH4/c1-16-21-11-18(5-8-24(21)30-15-29-16)22-12-23(19-13-31-33(14-19)9-10-34-2)26(28)32-25(22)17-3-6-20(27)7-4-17;1-11-15-8-13(4-7-18(15)25-10-24-11)16-9-17(21)20(23)26-19(16)12-2-5-14(22)6-3-12;1-11(2)12(3,4)18-13(17-11)10-8-14-15(9-10)6-7-16-5;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;3-1-2-4;/h3-8,11-15H,9-10H2,1-2H3,(H2,28,32);2-10H,1H3,(H2,23,26);8-9H,6-7H2,1-5H3;5-6H,1-4H3,(H,11,12);4H,1-2H2;1H4.

What are the key properties of 2-bromoethanol;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methane;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

2-bromoethanol;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methane;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 1450.94 g/mol, XLogP of 12.60, 14 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromoethanol;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methane;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 163458744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).