4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane

C114H151Br2FN16O19 — CID 157095636

About 4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane

4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane (PubChem CID 157095636) has the molecular formula C114H151Br2FN16O19 and a molecular weight of 2228.36 g/mol. Its IUPAC name is 4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane.

Molecular Properties

• Compound Name: 4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane
• PubChem CID: 157095636
• Molecular Formula: C114H151Br2FN16O19
• Molecular Weight: 2228.36 g/mol
• Exact Mass: 2224.97
• IUPAC Name: 4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane
• SMILES: Brc1ccnc(OC2CC2)c1.C.C.C.C.Fc1cc(Br)ccn1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)C1CCN(c2ccnc(OC3CC3)c2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CCN(c2ccnc(OC3CC3)c2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CCN(c2ccnc(OC3CC3)c2)C1.O=C(O)C1CCN(c2ccnc(OC3CC3)c2)C1
• InChI: InChI=1S/3C28H36N4O5.C13H16N2O3.C8H8BrNO.C5H3BrFN.4CH4/c3*33-27(19-3-6-24-25(15-19)36-14-13-35-24)23(18-31-10-1-2-11-31)30-28(34)20-8-12-32(17-20)21-7-9-29-26(16-21)37-22-4-5-22;16-13(17)9-4-6-15(8-9)10-3-5-14-12(7-10)18-11-1-2-11;9-6-3-4-10-8(5-6)11-7-1-2-7;6-4-1-2-8-5(7)3-4;;;;/h3*3,6-7,9,15-16,20,22-23,27,33H,1-2,4-5,8,10-14,17-18H2,(H,30,34);3,5,7,9,11H,1-2,4,6,8H2,(H,16,17);3-5,7H,1-2H2;1-3H;4*1H4/t20?,23-,27-;20-,23+,27+;20-,23-,27-;;;;;;;/m101......./s1
• InChIKey: AFEHTMVEWMLQOB-CGDAKWGMSA-N
• XLogP: 16.05
• TPSA: 386.84 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 33
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2228.36
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane?

The IUPAC name of 4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane (CID 157095636) is 4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane.

What is the SMILES notation for 4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane?

The canonical SMILES for 4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane is Brc1ccnc(OC2CC2)c1.C.C.C.C.Fc1cc(Br)ccn1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)C1CCN(c2ccnc(OC3CC3)c2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CCN(c2ccnc(OC3CC3)c2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CCN(c2ccnc(OC3CC3)c2)C1.O=C(O)C1CCN(c2ccnc(OC3CC3)c2)C1.

What is the InChIKey of 4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane?

The InChIKey is AFEHTMVEWMLQOB-CGDAKWGMSA-N. The full InChI is InChI=1S/3C28H36N4O5.C13H16N2O3.C8H8BrNO.C5H3BrFN.4CH4/c3*33-27(19-3-6-24-25(15-19)36-14-13-35-24)23(18-31-10-1-2-11-31)30-28(34)20-8-12-32(17-20)21-7-9-29-26(16-21)37-22-4-5-22;16-13(17)9-4-6-15(8-9)10-3-5-14-12(7-10)18-11-1-2-11;9-6-3-4-10-8(5-6)11-7-1-2-7;6-4-1-2-8-5(7)3-4;;;;/h3*3,6-7,9,15-16,20,22-23,27,33H,1-2,4-5,8,10-14,17-18H2,(H,30,34);3,5,7,9,11H,1-2,4,6,8H2,(H,16,17);3-5,7H,1-2H2;1-3H;4*1H4/t20?,23-,27-;20-,23+,27+;20-,23-,27-;;;;;;;/m101......./s1.

What are the key properties of 4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane?

4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane has a molecular weight of 2228.36 g/mol, XLogP of 16.05, 33 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane is sourced from PubChem (CID 157095636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).