3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid

C89H92BBr6Cl2I2N17O12 — CID 160583455

IUPAC3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid
SMILESBrc1cncc2c(I)[nH]nc12.Brc1cncc2cn[nH]c12.CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3cncc(Br)c32)C1.CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(I)c3cncc(Br)c32)C1.CC(C)(C)OC(=O)N1CCC[C@H](O)C1.Clc1ccncc1Br.O=Cc1cncc(Br)c1Cl.OB(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C28H29BrN4O3.C16H20BrIN4O2.C12H11BO3.C10H19NO3.C6H3BrClNO.C6H3BrIN3.C6H4BrN3.C5H3BrClN/c1-28(2,3)36-27(34)32-15-7-8-20(18-32)33-26-23(16-30-17-24(26)29)25(31-33)19-11-13-22(14-12-19)35-21-9-5-4-6-10-21;1-16(2,3)24-15(23)21-6-4-5-10(9-21)22-13-11(14(18)20-22)7-19-8-12(13)17;14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;7-5-2-9-1-4(3-10)6(5)8;7-4-2-9-1-3-5(4)10-11-6(3)8;7-5-3-8-1-4-2-9-10-6(4)5;6-4-3-8-2-1-5(4)7/h4-6,9-14,16-17,20H,7-8,15,18H2,1-3H3;7-8,10H,4-6,9H2,1-3H3;1-9,14-15H;8,12H,4-7H2,1-3H3;1-3H;1-2H,(H,10,11);1-3H,(H,9,10);1-3H/t20-;10-;;8-;;;;/m11.0..../s1
InChIKeyRCBWDWIQFHGMIG-QLGULMIHSA-N
MW2406.77 g/mol
LogP22.99
Rot. Bonds9

About 3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid

3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid (PubChem CID 160583455) has the molecular formula C89H92BBr6Cl2I2N17O12 and a molecular weight of 2406.77 g/mol. Its IUPAC name is 3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid.

Molecular Properties

Compound Name3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid
PubChem CID160583455
Molecular FormulaC89H92BBr6Cl2I2N17O12
Molecular Weight2406.77 g/mol
Exact Mass2398.98
IUPAC Name3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid
SMILESBrc1cncc2c(I)[nH]nc12.Brc1cncc2cn[nH]c12.CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3cncc(Br)c32)C1.CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(I)c3cncc(Br)c32)C1.CC(C)(C)OC(=O)N1CCC[C@H](O)C1.Clc1ccncc1Br.O=Cc1cncc(Br)c1Cl.OB(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C28H29BrN4O3.C16H20BrIN4O2.C12H11BO3.C10H19NO3.C6H3BrClNO.C6H3BrIN3.C6H4BrN3.C5H3BrClN/c1-28(2,3)36-27(34)32-15-7-8-20(18-32)33-26-23(16-30-17-24(26)29)25(31-33)19-11-13-22(14-12-19)35-21-9-5-4-6-10-21;1-16(2,3)24-15(23)21-6-4-5-10(9-21)22-13-11(14(18)20-22)7-19-8-12(13)17;14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;7-5-2-9-1-4(3-10)6(5)8;7-4-2-9-1-3-5(4)10-11-6(3)8;7-5-3-8-1-4-2-9-10-6(4)5;6-4-3-8-2-1-5(4)7/h4-6,9-14,16-17,20H,7-8,15,18H2,1-3H3;7-8,10H,4-6,9H2,1-3H3;1-9,14-15H;8,12H,4-7H2,1-3H3;1-3H;1-2H,(H,10,11);1-3H,(H,9,10);1-3H/t20-;10-;;8-;;;;/m11.0..../s1
InChIKeyRCBWDWIQFHGMIG-QLGULMIHSA-N
XLogP22.99
TPSA355.18 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002406.77
LogP ≤ 522.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)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

5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;7-bromo-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-carbamoyl-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-(7-cyano-3-iodopyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;3,5-dibromo-4-chloropyridine;3,5-dibromo-1H-pyridin-4-one;3-iodo-2H-pyrazolo[4,3-c]pyridine-7-carbonitrile;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carbonitrile;2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carbonitrile;1H-pyrazolo[4,3-c]pyridine-7-carbonitrile;1H-pyridin-4-one
CID 157671088
3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine
CID 158439726
3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine
CID 162132229
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate
CID 164949226

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid?
The IUPAC name of 3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid (CID 160583455) is 3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid.
What is the SMILES notation for 3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid?
The canonical SMILES for 3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid is Brc1cncc2c(I)[nH]nc12.Brc1cncc2cn[nH]c12.CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3cncc(Br)c32)C1.CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(I)c3cncc(Br)c32)C1.CC(C)(C)OC(=O)N1CCC[C@H](O)C1.Clc1ccncc1Br.O=Cc1cncc(Br)c1Cl.OB(O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid?
The InChIKey is RCBWDWIQFHGMIG-QLGULMIHSA-N. The full InChI is InChI=1S/C28H29BrN4O3.C16H20BrIN4O2.C12H11BO3.C10H19NO3.C6H3BrClNO.C6H3BrIN3.C6H4BrN3.C5H3BrClN/c1-28(2,3)36-27(34)32-15-7-8-20(18-32)33-26-23(16-30-17-24(26)29)25(31-33)19-11-13-22(14-12-19)35-21-9-5-4-6-10-21;1-16(2,3)24-15(23)21-6-4-5-10(9-21)22-13-11(14(18)20-22)7-19-8-12(13)17;14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;7-5-2-9-1-4(3-10)6(5)8;7-4-2-9-1-3-5(4)10-11-6(3)8;7-5-3-8-1-4-2-9-10-6(4)5;6-4-3-8-2-1-5(4)7/h4-6,9-14,16-17,20H,7-8,15,18H2,1-3H3;7-8,10H,4-6,9H2,1-3H3;1-9,14-15H;8,12H,4-7H2,1-3H3;1-3H;1-2H,(H,10,11);1-3H,(H,9,10);1-3H/t20-;10-;;8-;;;;/m11.0..../s1.
What are the key properties of 3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid?
3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid has a molecular weight of 2406.77 g/mol, XLogP of 22.99, 9 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid is sourced from PubChem (CID 160583455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).