1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid

C101H103BBr3Cl4N8O9P — CID 167656393

IUPAC1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid
SMILESC=Cc1cc(Br)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.CC(O)c1cc(Br)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccccc1B(O)O.Cc1cccnc1O[C@H]1CCN(c2ccc(-c3ccccc3Cl)cc2C(C)O)C1.Cc1cccnc1O[C@H]1CCN(c2ccc(Br)cc2C=O)C1
InChIInChI=1S/C24H25ClN2O2.C19H18ClP.C17H18BrClN2O2.C17H16BrClN2O.C17H17BrN2O2.C7H9BO2/c1-16-6-5-12-26-24(16)29-19-11-13-27(15-19)23-10-9-18(14-21(23)17(2)28)20-7-3-4-8-22(20)25;1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-11(22)14-9-12(18)4-5-16(14)21-8-6-13(10-21)23-17-15(19)3-2-7-20-17;1-2-12-10-13(18)5-6-16(12)21-9-7-14(11-21)22-17-15(19)4-3-8-20-17;1-12-3-2-7-19-17(12)22-15-6-8-20(10-15)16-5-4-14(18)9-13(16)11-21;1-6-4-2-3-5-7(6)8(9)10/h3-10,12,14,17,19,28H,11,13,15H2,1-2H3;2-16H,1H3;2-5,7,9,11,13,22H,6,8,10H2,1H3;2-6,8,10,14H,1,7,9,11H2;2-5,7,9,11,15H,6,8,10H2,1H3;2-5,9-10H,1H3/t17?,19-;;11?,13-;14-;15-;/m0.000./s1
InChIKeyRIAIWGAZLOTTOO-QLDSNKOESA-N
MW1996.29 g/mol
LogP22.03
Rot. Bonds21

About 1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid

1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid (PubChem CID 167656393) has the molecular formula C101H103BBr3Cl4N8O9P and a molecular weight of 1996.29 g/mol. Its IUPAC name is 1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid.

Molecular Properties

Compound Name1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid
PubChem CID167656393
Molecular FormulaC101H103BBr3Cl4N8O9P
Molecular Weight1996.29 g/mol
Exact Mass1990.40
IUPAC Name1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid
SMILESC=Cc1cc(Br)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.CC(O)c1cc(Br)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccccc1B(O)O.Cc1cccnc1O[C@H]1CCN(c2ccc(-c3ccccc3Cl)cc2C(C)O)C1.Cc1cccnc1O[C@H]1CCN(c2ccc(Br)cc2C=O)C1
InChIInChI=1S/C24H25ClN2O2.C19H18ClP.C17H18BrClN2O2.C17H16BrClN2O.C17H17BrN2O2.C7H9BO2/c1-16-6-5-12-26-24(16)29-19-11-13-27(15-19)23-10-9-18(14-21(23)17(2)28)20-7-3-4-8-22(20)25;1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-11(22)14-9-12(18)4-5-16(14)21-8-6-13(10-21)23-17-15(19)3-2-7-20-17;1-2-12-10-13(18)5-6-16(12)21-9-7-14(11-21)22-17-15(19)4-3-8-20-17;1-12-3-2-7-19-17(12)22-15-6-8-20(10-15)16-5-4-14(18)9-13(16)11-21;1-6-4-2-3-5-7(6)8(9)10/h3-10,12,14,17,19,28H,11,13,15H2,1-2H3;2-16H,1H3;2-5,7,9,11,13,22H,6,8,10H2,1H3;2-6,8,10,14H,1,7,9,11H2;2-5,7,9,11,15H,6,8,10H2,1H3;2-5,9-10H,1H3/t17?,19-;;11?,13-;14-;15-;/m0.000./s1
InChIKeyRIAIWGAZLOTTOO-QLDSNKOESA-N
XLogP22.03
TPSA199.43 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001996.29
LogP ≤ 522.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid 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 167537863
CID 167537863
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
CID 167589263
CID 167589263
2-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-propylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;3-[[4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)phenyl]-hydroxymethyl]benzonitrile;3-[[4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-propylphenyl]-hydroxymethyl]benzonitrile;3-isocyanobenzaldehyde
CID 167590646
5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-4-ylbenzamide;pyridin-4-ylboronic acid;hydrochloride
CID 167593377
5-bromo-2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide;pyridin-2-ylboronic acid
CID 167605872
CID 167618829
CID 167618829
CID 167624798
CID 167624798
CID 167631723
CID 167631723
5-bromo-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;(2-chlorophenyl)boronic acid;5-(2-chlorophenyl)-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide
CID 167647478
CID 167663791
CID 167663791

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid?
The IUPAC name of 1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid (CID 167656393) is 1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid.
What is the SMILES notation for 1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid?
The canonical SMILES for 1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid is C=Cc1cc(Br)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.CC(O)c1cc(Br)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccccc1B(O)O.Cc1cccnc1O[C@H]1CCN(c2ccc(-c3ccccc3Cl)cc2C(C)O)C1.Cc1cccnc1O[C@H]1CCN(c2ccc(Br)cc2C=O)C1.
What is the InChIKey of 1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid?
The InChIKey is RIAIWGAZLOTTOO-QLDSNKOESA-N. The full InChI is InChI=1S/C24H25ClN2O2.C19H18ClP.C17H18BrClN2O2.C17H16BrClN2O.C17H17BrN2O2.C7H9BO2/c1-16-6-5-12-26-24(16)29-19-11-13-27(15-19)23-10-9-18(14-21(23)17(2)28)20-7-3-4-8-22(20)25;1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-11(22)14-9-12(18)4-5-16(14)21-8-6-13(10-21)23-17-15(19)3-2-7-20-17;1-2-12-10-13(18)5-6-16(12)21-9-7-14(11-21)22-17-15(19)4-3-8-20-17;1-12-3-2-7-19-17(12)22-15-6-8-20(10-15)16-5-4-14(18)9-13(16)11-21;1-6-4-2-3-5-7(6)8(9)10/h3-10,12,14,17,19,28H,11,13,15H2,1-2H3;2-16H,1H3;2-5,7,9,11,13,22H,6,8,10H2,1H3;2-6,8,10,14H,1,7,9,11H2;2-5,7,9,11,15H,6,8,10H2,1H3;2-5,9-10H,1H3/t17?,19-;;11?,13-;14-;15-;/m0.000./s1.
What are the key properties of 1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid?
1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid has a molecular weight of 1996.29 g/mol, XLogP of 22.03, 21 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;2-[(3S)-1-(4-bromo-2-ethenylphenyl)pyrrolidin-3-yl]oxy-3-chloropyridine;5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzaldehyde;chloro-methyl-triphenyl-λ5-phosphane;1-[5-(2-chlorophenyl)-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol;(2-methylphenyl)boronic acid is sourced from PubChem (CID 167656393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).