5-bromo-2-fluoropyridine;5-[(5-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;cyclopropylboronic acid;5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);2-fluoro-5-hydroxybenzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride

C102H95BBr2Cl2F6N20O15 — CID 157232064

About 5-bromo-2-fluoropyridine;5-[(5-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;cyclopropylboronic acid;5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);2-fluoro-5-hydroxybenzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride

5-bromo-2-fluoropyridine;5-[(5-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;cyclopropylboronic acid;5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);2-fluoro-5-hydroxybenzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride (PubChem CID 157232064) has the molecular formula C102H95BBr2Cl2F6N20O15 and a molecular weight of 2196.52 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;5-[(5-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;cyclopropylboronic acid;5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);2-fluoro-5-hydroxybenzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride.

Molecular Properties

• Compound Name: 5-bromo-2-fluoropyridine;5-[(5-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;cyclopropylboronic acid;5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);2-fluoro-5-hydroxybenzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride
• PubChem CID: 157232064
• Molecular Formula: C102H95BBr2Cl2F6N20O15
• Molecular Weight: 2196.52 g/mol
• Exact Mass: 2192.50
• IUPAC Name: 5-bromo-2-fluoropyridine;5-[(5-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;cyclopropylboronic acid;5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);2-fluoro-5-hydroxybenzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride
• SMILES: CC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3ccc(C4CC4)cn3)ccc2F)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3ccc(C4CC4)cn3)ccc2F)n1.Cl.Cl.Fc1ccc(Br)cn1.O=C(O)c1cc(O)ccc1F.O=C(O)c1cc(Oc2ccc(Br)cn2)ccc1F.O=C(O)c1cc(Oc2ccc(C3CC3)cn2)ccc1F.OB(O)C1CC1
• InChI: InChI=1S/2C25H23FN6O2.C15H12FNO3.C12H7BrFNO3.C10H13N5.C7H5FO3.C5H3BrFN.C3H7BO2.2ClH/c2*1-15(2)32-14-28-31-24(32)21-4-3-5-22(29-21)30-25(33)19-12-18(9-10-20(19)26)34-23-11-8-17(13-27-23)16-6-7-16;16-13-5-4-11(7-12(13)15(18)19)20-14-6-3-10(8-17-14)9-1-2-9;13-7-1-4-11(15-6-7)18-8-2-3-10(14)9(5-8)12(16)17;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;8-6-2-1-4(9)3-5(6)7(10)11;6-4-1-2-5(7)8-3-4;5-4(6)3-1-2-3;;/h2*3-5,8-16H,6-7H2,1-2H3,(H,29,30,33);3-9H,1-2H2,(H,18,19);1-6H,(H,16,17);3-7H,1-2H3,(H2,11,13);1-3,9H,(H,10,11);1-3H;3,5-6H,1-2H2;2*1H
• InChIKey: ZXOXDKBVBGDFHO-UHFFFAOYSA-N
• XLogP: 23.00
• TPSA: 488.98 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2196.52
LogP ≤ 5	23.00
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyridine;5-[(5-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;cyclopropylboronic acid;5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);2-fluoro-5-hydroxybenzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride?

The IUPAC name of 5-bromo-2-fluoropyridine;5-[(5-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;cyclopropylboronic acid;5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);2-fluoro-5-hydroxybenzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride (CID 157232064) is 5-bromo-2-fluoropyridine;5-[(5-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;cyclopropylboronic acid;5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);2-fluoro-5-hydroxybenzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride.

What is the SMILES notation for 5-bromo-2-fluoropyridine;5-[(5-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;cyclopropylboronic acid;5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);2-fluoro-5-hydroxybenzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride?

The canonical SMILES for 5-bromo-2-fluoropyridine;5-[(5-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;cyclopropylboronic acid;5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);2-fluoro-5-hydroxybenzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride is CC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3ccc(C4CC4)cn3)ccc2F)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3ccc(C4CC4)cn3)ccc2F)n1.Cl.Cl.Fc1ccc(Br)cn1.O=C(O)c1cc(O)ccc1F.O=C(O)c1cc(Oc2ccc(Br)cn2)ccc1F.O=C(O)c1cc(Oc2ccc(C3CC3)cn2)ccc1F.OB(O)C1CC1.

What is the InChIKey of 5-bromo-2-fluoropyridine;5-[(5-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;cyclopropylboronic acid;5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);2-fluoro-5-hydroxybenzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride?

The InChIKey is ZXOXDKBVBGDFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H23FN6O2.C15H12FNO3.C12H7BrFNO3.C10H13N5.C7H5FO3.C5H3BrFN.C3H7BO2.2ClH/c2*1-15(2)32-14-28-31-24(32)21-4-3-5-22(29-21)30-25(33)19-12-18(9-10-20(19)26)34-23-11-8-17(13-27-23)16-6-7-16;16-13-5-4-11(7-12(13)15(18)19)20-14-6-3-10(8-17-14)9-1-2-9;13-7-1-4-11(15-6-7)18-8-2-3-10(14)9(5-8)12(16)17;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;8-6-2-1-4(9)3-5(6)7(10)11;6-4-1-2-5(7)8-3-4;5-4(6)3-1-2-3;;/h2*3-5,8-16H,6-7H2,1-2H3,(H,29,30,33);3-9H,1-2H2,(H,18,19);1-6H,(H,16,17);3-7H,1-2H3,(H2,11,13);1-3,9H,(H,10,11);1-3H;3,5-6H,1-2H2;2*1H.

What are the key properties of 5-bromo-2-fluoropyridine;5-[(5-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;cyclopropylboronic acid;5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);2-fluoro-5-hydroxybenzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride?

5-bromo-2-fluoropyridine;5-[(5-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;cyclopropylboronic acid;5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);2-fluoro-5-hydroxybenzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride has a molecular weight of 2196.52 g/mol, XLogP of 23.00, 25 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-fluoropyridine;5-[(5-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;cyclopropylboronic acid;5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);2-fluoro-5-hydroxybenzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 157232064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).