2-bromo-5-fluoropyridine;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;5-fluoro-1H-pyridine-2-thione;hydrochloride

C58H53BrCl2F12N12O6S3 — CID 157347810

About 2-bromo-5-fluoropyridine;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;5-fluoro-1H-pyridine-2-thione;hydrochloride

2-bromo-5-fluoropyridine;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;5-fluoro-1H-pyridine-2-thione;hydrochloride (PubChem CID 157347810) has the molecular formula C58H53BrCl2F12N12O6S3 and a molecular weight of 1489.13 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;5-fluoro-1H-pyridine-2-thione;hydrochloride.

Molecular Properties

• Compound Name: 2-bromo-5-fluoropyridine;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;5-fluoro-1H-pyridine-2-thione;hydrochloride
• PubChem CID: 157347810
• Molecular Formula: C58H53BrCl2F12N12O6S3
• Molecular Weight: 1489.13 g/mol
• Exact Mass: 1486.17
• IUPAC Name: 2-bromo-5-fluoropyridine;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;5-fluoro-1H-pyridine-2-thione;hydrochloride
• SMILES: Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1.Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1S(=O)(=O)c1ccc(F)cn1.Cl.Fc1ccc(=S)[nH]c1.Fc1ccc(Br)nc1.O=S(=O)(Cl)c1ccc(F)cn1
• InChI: InChI=1S/C24H22F5N5O3S.C19H20F4N4O.C5H3BrFN.C5H3ClFNO2S.C5H4FNS.ClH/c1-13-9-30-19(16-10-32-23(33-11-16)24(27,28)29)7-15(13)3-5-21(35)20-8-18(26)14(2)34(20)38(36,37)22-6-4-17(25)12-31-22;1-10-7-24-15(13-8-25-18(26-9-13)19(21,22)23)5-12(10)3-4-17(28)16-6-14(20)11(2)27-16;6-5-2-1-4(7)3-8-5;6-11(9,10)5-2-1-4(7)3-8-5;6-4-1-2-5(8)7-3-4;/h4,6-7,9-12,14,18,20H,3,5,8H2,1-2H3;5,7-9,11,14,16,27H,3-4,6H2,1-2H3;1-3H;1-3H;1-3H,(H,7,8);1H/t14-,18+,20-;11-,14+,16-;;;;/m00..../s1
• InChIKey: PIBXYWUJUFTFAV-PGSQHECRSA-N
• XLogP: 12.98
• TPSA: 249.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1489.13
LogP ≤ 5	12.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoropyridine;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;5-fluoro-1H-pyridine-2-thione;hydrochloride?

The IUPAC name of 2-bromo-5-fluoropyridine;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;5-fluoro-1H-pyridine-2-thione;hydrochloride (CID 157347810) is 2-bromo-5-fluoropyridine;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;5-fluoro-1H-pyridine-2-thione;hydrochloride.

What is the SMILES notation for 2-bromo-5-fluoropyridine;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;5-fluoro-1H-pyridine-2-thione;hydrochloride?

The canonical SMILES for 2-bromo-5-fluoropyridine;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;5-fluoro-1H-pyridine-2-thione;hydrochloride is Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1.Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1S(=O)(=O)c1ccc(F)cn1.Cl.Fc1ccc(=S)[nH]c1.Fc1ccc(Br)nc1.O=S(=O)(Cl)c1ccc(F)cn1.

What is the InChIKey of 2-bromo-5-fluoropyridine;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;5-fluoro-1H-pyridine-2-thione;hydrochloride?

The InChIKey is PIBXYWUJUFTFAV-PGSQHECRSA-N. The full InChI is InChI=1S/C24H22F5N5O3S.C19H20F4N4O.C5H3BrFN.C5H3ClFNO2S.C5H4FNS.ClH/c1-13-9-30-19(16-10-32-23(33-11-16)24(27,28)29)7-15(13)3-5-21(35)20-8-18(26)14(2)34(20)38(36,37)22-6-4-17(25)12-31-22;1-10-7-24-15(13-8-25-18(26-9-13)19(21,22)23)5-12(10)3-4-17(28)16-6-14(20)11(2)27-16;6-5-2-1-4(7)3-8-5;6-11(9,10)5-2-1-4(7)3-8-5;6-4-1-2-5(8)7-3-4;/h4,6-7,9-12,14,18,20H,3,5,8H2,1-2H3;5,7-9,11,14,16,27H,3-4,6H2,1-2H3;1-3H;1-3H;1-3H,(H,7,8);1H/t14-,18+,20-;11-,14+,16-;;;;/m00..../s1.

What are the key properties of 2-bromo-5-fluoropyridine;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;5-fluoro-1H-pyridine-2-thione;hydrochloride?

2-bromo-5-fluoropyridine;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;5-fluoro-1H-pyridine-2-thione;hydrochloride has a molecular weight of 1489.13 g/mol, XLogP of 12.98, 13 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-fluoropyridine;1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;5-fluoro-1H-pyridine-2-thione;hydrochloride is sourced from PubChem (CID 157347810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).