4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid

C23H22BCl3N2O2 — CID 158033428

IUPAC4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid
SMILESC.Clc1ccnc(-c2ccccc2)c1.Clc1ccnc(Cl)c1.OB(O)c1ccccc1
InChIInChI=1S/C11H8ClN.C6H7BO2.C5H3Cl2N.CH4/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9;8-7(9)6-4-2-1-3-5-6;6-4-1-2-8-5(7)3-4;/h1-8H;1-5,8-9H;1-3H;1H4
InChIKeyFHLNRLSORCAXOW-UHFFFAOYSA-N
MW475.61 g/mol
LogP5.79
Rot. Bonds2

About 4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid

4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid (PubChem CID 158033428) has the molecular formula C23H22BCl3N2O2 and a molecular weight of 475.61 g/mol. Its IUPAC name is 4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid.

Molecular Properties

Compound Name4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid
PubChem CID158033428
Molecular FormulaC23H22BCl3N2O2
Molecular Weight475.61 g/mol
Exact Mass474.08
IUPAC Name4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid
SMILESC.Clc1ccnc(-c2ccccc2)c1.Clc1ccnc(Cl)c1.OB(O)c1ccccc1
InChIInChI=1S/C11H8ClN.C6H7BO2.C5H3Cl2N.CH4/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9;8-7(9)6-4-2-1-3-5-6;6-4-1-2-8-5(7)3-4;/h1-8H;1-5,8-9H;1-3H;1H4
InChIKeyFHLNRLSORCAXOW-UHFFFAOYSA-N
XLogP5.79
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.61
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;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

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
CID 33036
Rupatadine
CID 133017
(-)-Chlorpheniramine
CID 716121
13-Chloro-2-(1-ethylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10315110
2-(4'-Chlorobenzyl)pyridine
CID 78054
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
N-Methyldesloratadine
CID 31843
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
13-Chloro-2-[1-[(2-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 9979272
8-chloro-11-(1-(pyridin-3-ylmethyl)piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
CID 10069660
13-Chloro-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10070478

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid?
The IUPAC name of 4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid (CID 158033428) is 4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid.
What is the SMILES notation for 4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid?
The canonical SMILES for 4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid is C.Clc1ccnc(-c2ccccc2)c1.Clc1ccnc(Cl)c1.OB(O)c1ccccc1.
What is the InChIKey of 4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid?
The InChIKey is FHLNRLSORCAXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN.C6H7BO2.C5H3Cl2N.CH4/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9;8-7(9)6-4-2-1-3-5-6;6-4-1-2-8-5(7)3-4;/h1-8H;1-5,8-9H;1-3H;1H4.
What are the key properties of 4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid?
4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid has a molecular weight of 475.61 g/mol, XLogP of 5.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenylpyridine;2,4-dichloropyridine;methane;phenylboronic acid is sourced from PubChem (CID 158033428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).