3-chloro-5-phenylpyridine;3,5-dichloropyridine;methane;phenylboronic acid

C23H22BCl3N2O2 — CID 160938775

IUPAC3-chloro-5-phenylpyridine;3,5-dichloropyridine;methane;phenylboronic acid
SMILESC.Clc1cncc(-c2ccccc2)c1.Clc1cncc(Cl)c1.OB(O)c1ccccc1
InChIInChI=1S/C11H8ClN.C6H7BO2.C5H3Cl2N.CH4/c12-11-6-10(7-13-8-11)9-4-2-1-3-5-9;8-7(9)6-4-2-1-3-5-6;6-4-1-5(7)3-8-2-4;/h1-8H;1-5,8-9H;1-3H;1H4
InChIKeySUFMTVSQUDBEIG-UHFFFAOYSA-N
MW475.61 g/mol
LogP5.79
Rot. Bonds2

About 3-chloro-5-phenylpyridine;3,5-dichloropyridine;methane;phenylboronic acid

3-chloro-5-phenylpyridine;3,5-dichloropyridine;methane;phenylboronic acid (PubChem CID 160938775) has the molecular formula C23H22BCl3N2O2 and a molecular weight of 475.61 g/mol. Its IUPAC name is 3-chloro-5-phenylpyridine;3,5-dichloropyridine;methane;phenylboronic acid.

Molecular Properties

Compound Name3-chloro-5-phenylpyridine;3,5-dichloropyridine;methane;phenylboronic acid
PubChem CID160938775
Molecular FormulaC23H22BCl3N2O2
Molecular Weight475.61 g/mol
Exact Mass474.08
IUPAC Name3-chloro-5-phenylpyridine;3,5-dichloropyridine;methane;phenylboronic acid
SMILESC.Clc1cncc(-c2ccccc2)c1.Clc1cncc(Cl)c1.OB(O)c1ccccc1
InChIInChI=1S/C11H8ClN.C6H7BO2.C5H3Cl2N.CH4/c12-11-6-10(7-13-8-11)9-4-2-1-3-5-9;8-7(9)6-4-2-1-3-5-6;6-4-1-5(7)3-8-2-4;/h1-8H;1-5,8-9H;1-3H;1H4
InChIKeySUFMTVSQUDBEIG-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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[Bis-(4-chloro-phenyl)-methyl]-pyridine
CID 10663041
3-[Chloro-bis-(4-chloro-phenyl)-methyl]-pyridine: (Hydrochloride)
CID 22768057
3-[1,1-Bis-(4-chloro-phenyl)-ethyl]-pyridine
CID 44356401
7-(5-Chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
CID 71450029
2-Chloro-3-[2-[2-(2-chlorophenyl)-3-pyridinyl]-1-pyridin-3-ylethyl]pyridine
CID 137657930
3-[1-[3-chloro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]-2-methylprop-1-enyl]pyridine
CID 122451518
N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine
CID 127041214
2-chloro-5-[(3S)-3-methyl(511C)pentyl]-3-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 172447023
2,2'-(4,4'-Di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(5-chloro-3-fluoropyridine)
CID 155908919
2-(4-Chlorophenyl)-3,5-diphenylpyridine
CID 53982030
1-(3,5-dichloropyridin-4-yl)-N-(4-fluorobenzyl)-N-(pyridin-4-ylmethyl)methanamine
CID 46997511
2-Chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine
CID 11567286

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-phenylpyridine;3,5-dichloropyridine;methane;phenylboronic acid?
The IUPAC name of 3-chloro-5-phenylpyridine;3,5-dichloropyridine;methane;phenylboronic acid (CID 160938775) is 3-chloro-5-phenylpyridine;3,5-dichloropyridine;methane;phenylboronic acid.
What is the SMILES notation for 3-chloro-5-phenylpyridine;3,5-dichloropyridine;methane;phenylboronic acid?
The canonical SMILES for 3-chloro-5-phenylpyridine;3,5-dichloropyridine;methane;phenylboronic acid is C.Clc1cncc(-c2ccccc2)c1.Clc1cncc(Cl)c1.OB(O)c1ccccc1.
What is the InChIKey of 3-chloro-5-phenylpyridine;3,5-dichloropyridine;methane;phenylboronic acid?
The InChIKey is SUFMTVSQUDBEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN.C6H7BO2.C5H3Cl2N.CH4/c12-11-6-10(7-13-8-11)9-4-2-1-3-5-9;8-7(9)6-4-2-1-3-5-6;6-4-1-5(7)3-8-2-4;/h1-8H;1-5,8-9H;1-3H;1H4.
What are the key properties of 3-chloro-5-phenylpyridine;3,5-dichloropyridine;methane;phenylboronic acid?
3-chloro-5-phenylpyridine;3,5-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 3-chloro-5-phenylpyridine;3,5-dichloropyridine;methane;phenylboronic acid is sourced from PubChem (CID 160938775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).