5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine

C75H72BBr3FN13O8 — CID 167699275

IUPAC5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine
SMILESN#Cc1cc(Br)ccc1F.NC(=O)c1cc(-c2ccccc2)ccc1N1CC[C@@H](Oc2ccccn2)C1.NC(=O)c1cc(Br)ccc1N1CC[C@@H](Oc2ccccn2)C1.OB(O)c1ccccn1.[C-]#[N+]c1cc(Br)ccc1N1CC[C@@H](Oc2ccccn2)C1.c1ccc(O[C@@H]2CCNC2)nc1
InChIInChI=1S/C22H21N3O2.C16H16BrN3O2.C16H14BrN3O.C9H12N2O.C7H3BrFN.C5H6BNO2/c23-22(26)19-14-17(16-6-2-1-3-7-16)9-10-20(19)25-13-11-18(15-25)27-21-8-4-5-12-24-21;17-11-4-5-14(13(9-11)16(18)21)20-8-6-12(10-20)22-15-3-1-2-7-19-15;1-18-14-10-12(17)5-6-15(14)20-9-7-13(11-20)21-16-4-2-3-8-19-16;1-2-5-11-9(3-1)12-8-4-6-10-7-8;8-6-1-2-7(9)5(3-6)4-10;8-6(9)5-3-1-2-4-7-5/h1-10,12,14,18H,11,13,15H2,(H2,23,26);1-5,7,9,12H,6,8,10H2,(H2,18,21);2-6,8,10,13H,7,9,11H2;1-3,5,8,10H,4,6-7H2;1-3H;1-4,8-9H/t18-;12-;13-;8-;;/m1111../s1
InChIKeyYDCCKHXLLZCISA-SBQUETJUSA-N
MW1553.01 g/mol
LogP12.20
Rot. Bonds15

About 5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine

5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine (PubChem CID 167699275) has the molecular formula C75H72BBr3FN13O8 and a molecular weight of 1553.01 g/mol. Its IUPAC name is 5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine
PubChem CID167699275
Molecular FormulaC75H72BBr3FN13O8
Molecular Weight1553.01 g/mol
Exact Mass1549.33
IUPAC Name5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine
SMILESN#Cc1cc(Br)ccc1F.NC(=O)c1cc(-c2ccccc2)ccc1N1CC[C@@H](Oc2ccccn2)C1.NC(=O)c1cc(Br)ccc1N1CC[C@@H](Oc2ccccn2)C1.OB(O)c1ccccn1.[C-]#[N+]c1cc(Br)ccc1N1CC[C@@H](Oc2ccccn2)C1.c1ccc(O[C@@H]2CCNC2)nc1
InChIInChI=1S/C22H21N3O2.C16H16BrN3O2.C16H14BrN3O.C9H12N2O.C7H3BrFN.C5H6BNO2/c23-22(26)19-14-17(16-6-2-1-3-7-16)9-10-20(19)25-13-11-18(15-25)27-21-8-4-5-12-24-21;17-11-4-5-14(13(9-11)16(18)21)20-8-6-12(10-20)22-15-3-1-2-7-19-15;1-18-14-10-12(17)5-6-15(14)20-9-7-13(11-20)21-16-4-2-3-8-19-16;1-2-5-11-9(3-1)12-8-4-6-10-7-8;8-6-1-2-7(9)5(3-6)4-10;8-6(9)5-3-1-2-4-7-5/h1-10,12,14,18H,11,13,15H2,(H2,23,26);1-5,7,9,12H,6,8,10H2,(H2,18,21);2-6,8,10,13H,7,9,11H2;1-3,5,8,10H,4,6-7H2;1-3H;1-4,8-9H/t18-;12-;13-;8-;;/m1111../s1
InChIKeyYDCCKHXLLZCISA-SBQUETJUSA-N
XLogP12.20
TPSA277.91 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001553.01
LogP ≤ 512.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 167536953
CID 167536953
CID 167551349
CID 167551349
5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-3-ylbenzamide;3-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyridine;pyridin-3-ylboronic acid
CID 167574959
4-bromo-1-fluoro-2-isocyanobenzene;2-[(3S)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-5-methylpyridine;5-bromo-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-cyano-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-methyl-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 167588890
4-bromo-1-fluoro-2-isocyanobenzene;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-5-methylpyridine;5-bromo-2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-cyano-2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 167588891
sodium;2-bromo-6-fluorobenzonitrile;2-[(3S)-1-(3-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-5-methylpyridine;2-bromo-6-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;hydrogen peroxide;2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-phenylbenzamide;5-methyl-2-[(3S)-pyrrolidin-3-yl]oxypyridine;phenylboronic acid;hydroxide;hydrochloride
CID 167591529
5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;5-pyridin-2-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide
CID 167597279
5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-4-ylboronic acid;5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide
CID 167607668
5-bromo-2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide;phenylboronic acid
CID 167643788
5-bromo-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide;phenylboronic acid
CID 167643790
2-aminoethanol;N-(2-hydroxyethyl)-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide;methyl 5-bromo-2-fluorobenzoate;methyl 5-bromo-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzoate;methyl 2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzoate;5-methyl-2-[(3S)-pyrrolidin-3-yl]oxypyridine;phenylboronic acid;hydrochloride
CID 167678327
5-bromo-2-[(3S)-3-(6-chloroquinolin-2-yl)oxypyrrolidin-1-yl]benzamide;5-bromo-2-fluorobenzonitrile;2-[(3S)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxy-6-chloroquinoline;6-chloro-2-[(3S)-pyrrolidin-3-yl]oxyquinoline;2-[(3S)-3-(6-chloroquinolin-2-yl)oxypyrrolidin-1-yl]-5-phenylbenzamide;phenylboronic acid;sulfuric acid
CID 167678329

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine (CID 167699275) is 5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine is N#Cc1cc(Br)ccc1F.NC(=O)c1cc(-c2ccccc2)ccc1N1CC[C@@H](Oc2ccccn2)C1.NC(=O)c1cc(Br)ccc1N1CC[C@@H](Oc2ccccn2)C1.OB(O)c1ccccn1.[C-]#[N+]c1cc(Br)ccc1N1CC[C@@H](Oc2ccccn2)C1.c1ccc(O[C@@H]2CCNC2)nc1.
What is the InChIKey of 5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine?
The InChIKey is YDCCKHXLLZCISA-SBQUETJUSA-N. The full InChI is InChI=1S/C22H21N3O2.C16H16BrN3O2.C16H14BrN3O.C9H12N2O.C7H3BrFN.C5H6BNO2/c23-22(26)19-14-17(16-6-2-1-3-7-16)9-10-20(19)25-13-11-18(15-25)27-21-8-4-5-12-24-21;17-11-4-5-14(13(9-11)16(18)21)20-8-6-12(10-20)22-15-3-1-2-7-19-15;1-18-14-10-12(17)5-6-15(14)20-9-7-13(11-20)21-16-4-2-3-8-19-16;1-2-5-11-9(3-1)12-8-4-6-10-7-8;8-6-1-2-7(9)5(3-6)4-10;8-6(9)5-3-1-2-4-7-5/h1-10,12,14,18H,11,13,15H2,(H2,23,26);1-5,7,9,12H,6,8,10H2,(H2,18,21);2-6,8,10,13H,7,9,11H2;1-3,5,8,10H,4,6-7H2;1-3H;1-4,8-9H/t18-;12-;13-;8-;;/m1111../s1.
What are the key properties of 5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine?
5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine has a molecular weight of 1553.01 g/mol, XLogP of 12.20, 15 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluorobenzonitrile;2-[(3R)-1-(4-bromo-2-isocyanophenyl)pyrrolidin-3-yl]oxypyridine;5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;5-phenyl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide;pyridin-2-ylboronic acid;2-[(3R)-pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 167699275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).