6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid

C22H20BCl2IN4O2 — CID 158293926

IUPAC6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid
SMILESNc1cnc(Cl)cc1-c1ccccc1.Nc1cnc(Cl)cc1I.OB(O)c1ccccc1
InChIInChI=1S/C11H9ClN2.C6H7BO2.C5H4ClIN2/c12-11-6-9(10(13)7-14-11)8-4-2-1-3-5-8;8-7(9)6-4-2-1-3-5-6;6-5-1-3(7)4(8)2-9-5/h1-7H,13H2;1-5,8-9H;1-2H,8H2
InChIKeyGLRKMKZSVWUCRV-UHFFFAOYSA-N
MW581.05 g/mol
LogP4.27
Rot. Bonds2

About 6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid

6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid (PubChem CID 158293926) has the molecular formula C22H20BCl2IN4O2 and a molecular weight of 581.05 g/mol. Its IUPAC name is 6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid.

Molecular Properties

Compound Name6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid
PubChem CID158293926
Molecular FormulaC22H20BCl2IN4O2
Molecular Weight581.05 g/mol
Exact Mass580.01
IUPAC Name6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid
SMILESNc1cnc(Cl)cc1-c1ccccc1.Nc1cnc(Cl)cc1I.OB(O)c1ccccc1
InChIInChI=1S/C11H9ClN2.C6H7BO2.C5H4ClIN2/c12-11-6-9(10(13)7-14-11)8-4-2-1-3-5-8;8-7(9)6-4-2-1-3-5-6;6-5-1-3(7)4(8)2-9-5/h1-7H,13H2;1-5,8-9H;1-2H,8H2
InChIKeyGLRKMKZSVWUCRV-UHFFFAOYSA-N
XLogP4.27
TPSA118.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.05
LogP ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic 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

N-[(3-chlorophenyl)-diphenylmethyl]pyridin-3-amine
CID 45488486
6'-Chloro-2-fluoro-5-(4-piperidin-1-ylmethyl-phenyl)-5'-vinyl-[3,4]bipyridinyl-3'-ylamine
CID 58266301
6'-Chloro-2-fluoro-5-(4-piperidin-1-ylmethyl-phenyl)-[3,4]bipyridinyl-3'-ylamine
CID 58266800
4-(4-Chlorophenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
CID 69246319
6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine
CID 144795213
5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine
CID 147319850
5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3,4-difluorophenyl)methyl]pyridin-3-amine
CID 152904030
5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine
CID 153266895
5-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine
CID 158004338
5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine
CID 158113864
2-Chloro-5-(trifluoromethyl)pyridine;phenylboronic acid;2-phenyl-5-(trifluoromethyl)pyridine
CID 159343495
5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 159861727

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid?
The IUPAC name of 6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid (CID 158293926) is 6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid.
What is the SMILES notation for 6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid?
The canonical SMILES for 6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid is Nc1cnc(Cl)cc1-c1ccccc1.Nc1cnc(Cl)cc1I.OB(O)c1ccccc1.
What is the InChIKey of 6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid?
The InChIKey is GLRKMKZSVWUCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2.C6H7BO2.C5H4ClIN2/c12-11-6-9(10(13)7-14-11)8-4-2-1-3-5-8;8-7(9)6-4-2-1-3-5-6;6-5-1-3(7)4(8)2-9-5/h1-7H,13H2;1-5,8-9H;1-2H,8H2.
What are the key properties of 6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid?
6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid has a molecular weight of 581.05 g/mol, XLogP of 4.27, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-iodopyridin-3-amine;6-chloro-4-phenylpyridin-3-amine;phenylboronic acid is sourced from PubChem (CID 158293926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).