3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromo-4-fluoropyridin-2-amine;4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;4-fluoropyridin-2-amine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C41H55BBr2F4N14O2 — CID 161186703

About 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromo-4-fluoropyridin-2-amine;4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;4-fluoropyridin-2-amine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromo-4-fluoropyridin-2-amine;4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;4-fluoropyridin-2-amine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 161186703) has the molecular formula C41H55BBr2F4N14O2 and a molecular weight of 1022.60 g/mol. Its IUPAC name is 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromo-4-fluoropyridin-2-amine;4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;4-fluoropyridin-2-amine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromo-4-fluoropyridin-2-amine;4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;4-fluoropyridin-2-amine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 161186703
• Molecular Formula: C41H55BBr2F4N14O2
• Molecular Weight: 1022.60 g/mol
• Exact Mass: 1020.30
• IUPAC Name: 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromo-4-fluoropyridin-2-amine;4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;4-fluoropyridin-2-amine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: C.C.C.Cn1cc(-c2cnc(N)c(Br)c2F)cn1.Cn1cc(-c2cnc(N)cc2F)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1cc(F)c(Br)cn1.Nc1cc(F)ccn1
• InChI: InChI=1S/C10H17BN2O2.C9H8BrFN4.C9H9FN4.C5H4BrFN2.C5H5FN2.3CH4/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-15-4-5(2-14-15)6-3-13-9(12)7(10)8(6)11;1-14-5-6(3-13-14)7-4-12-9(11)2-8(7)10;6-3-2-9-5(8)1-4(3)7;6-4-1-2-8-5(7)3-4;;;/h6-7H,1-5H3;2-4H,1H3,(H2,12,13);2-5H,1H3,(H2,11,12);1-2H,(H2,8,9);1-3H,(H2,7,8);3*1H4
• InChIKey: UTEDOONIIFGOGA-UHFFFAOYSA-N
• XLogP: 8.17
• TPSA: 227.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 3
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1022.60
LogP ≤ 5	8.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromo-4-fluoropyridin-2-amine;4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;4-fluoropyridin-2-amine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromo-4-fluoropyridin-2-amine;4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;4-fluoropyridin-2-amine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 161186703) is 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromo-4-fluoropyridin-2-amine;4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;4-fluoropyridin-2-amine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromo-4-fluoropyridin-2-amine;4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;4-fluoropyridin-2-amine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromo-4-fluoropyridin-2-amine;4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;4-fluoropyridin-2-amine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is C.C.C.Cn1cc(-c2cnc(N)c(Br)c2F)cn1.Cn1cc(-c2cnc(N)cc2F)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1cc(F)c(Br)cn1.Nc1cc(F)ccn1.

What is the InChIKey of 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromo-4-fluoropyridin-2-amine;4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;4-fluoropyridin-2-amine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is UTEDOONIIFGOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN2O2.C9H8BrFN4.C9H9FN4.C5H4BrFN2.C5H5FN2.3CH4/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-15-4-5(2-14-15)6-3-13-9(12)7(10)8(6)11;1-14-5-6(3-13-14)7-4-12-9(11)2-8(7)10;6-3-2-9-5(8)1-4(3)7;6-4-1-2-8-5(7)3-4;;;/h6-7H,1-5H3;2-4H,1H3,(H2,12,13);2-5H,1H3,(H2,11,12);1-2H,(H2,8,9);1-3H,(H2,7,8);3*1H4.

What are the key properties of 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromo-4-fluoropyridin-2-amine;4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;4-fluoropyridin-2-amine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromo-4-fluoropyridin-2-amine;4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;4-fluoropyridin-2-amine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1022.60 g/mol, XLogP of 8.17, 3 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromo-4-fluoropyridin-2-amine;4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine;4-fluoropyridin-2-amine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 161186703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).