4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine

C20H18ClN — CID 54546741

IUPAC4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine
SMILESCc1cccc(-c2ccccc2C(Cl)c2ccncc2)c1C
InChIInChI=1S/C20H18ClN/c1-14-6-5-9-17(15(14)2)18-7-3-4-8-19(18)20(21)16-10-12-22-13-11-16/h3-13,20H,1-2H3
InChIKeyZHAUIJPFXPFTRC-UHFFFAOYSA-N
MW307.82 g/mol
LogP5.69
Rot. Bonds3

About 4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine

4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine (PubChem CID 54546741) has the molecular formula C20H18ClN and a molecular weight of 307.82 g/mol. Its IUPAC name is 4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine
PubChem CID54546741
Molecular FormulaC20H18ClN
Molecular Weight307.82 g/mol
Exact Mass307.11
IUPAC Name4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine
SMILESCc1cccc(-c2ccccc2C(Cl)c2ccncc2)c1C
InChIInChI=1S/C20H18ClN/c1-14-6-5-9-17(15(14)2)18-7-3-4-8-19(18)20(21)16-10-12-22-13-11-16/h3-13,20H,1-2H3
InChIKeyZHAUIJPFXPFTRC-UHFFFAOYSA-N
XLogP5.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.82
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[chloro(phenyl)methyl]-2,3-dimethylbenzene
CID 13105628
1-[chloro-(4-propan-2-ylphenyl)methyl]-2,3-dimethylbenzene
CID 63435435
1-(2,3-dimethylphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 62548873
3-(2,3-dimethylphenyl)-4,5-dimethylpyridine
CID 146588490
1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene
CID 63431750
1,2-dimethyl-3-(2-phenylphenyl)benzene
CID 54215466
4-(2-methylphenyl)pyridine;hydroiodide
CID 175234022
4-(2,3-dimethylphenyl)pyrimidine;ethane
CID 144625343
2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide
CID 69008115
2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
CID 22475994
pyridine;1,2,3-trimethylbenzene;hydrochloride
CID 174567082
3-[(2-bromo-3-methylphenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene
CID 107983453

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine?
The IUPAC name of 4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine (CID 54546741) is 4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine.
What is the SMILES notation for 4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine?
The canonical SMILES for 4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine is Cc1cccc(-c2ccccc2C(Cl)c2ccncc2)c1C.
What is the InChIKey of 4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine?
The InChIKey is ZHAUIJPFXPFTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN/c1-14-6-5-9-17(15(14)2)18-7-3-4-8-19(18)20(21)16-10-12-22-13-11-16/h3-13,20H,1-2H3.
What are the key properties of 4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine?
4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine has a molecular weight of 307.82 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine is sourced from PubChem (CID 54546741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).